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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Diphenylmethanes (574)
Benzenesulfonamides (311)
Phenylpropanes (239)
Trifluoromethylbenzenes (196)
Benzophenones (194)
Diphenylethers (185)
Anilides (159)
Benzyl Derivatives (150)
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Benzenesulfonyl compounds (75)
Benzoyl derivatives (75)
Phenoxyacetic acid derivatives (73)
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Acylaminobenzoic acid and derivatives (39)
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Benzoic acid esters (31)
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Alkyldimethylbenzylammonium halides (24)
Aminotoluenes (24)
Aniline and substituted anilines (24)
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Nitrobenzoic acids and derivatives (20)
Phenylpropylamines (20)
Phenylacetaldehydes (12)
Sulfanylbenzoic acids and derivatives (11)
Benzenesulfonic acids and derivatives (10)
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Cyclohexylphenols (8)
Diphenylacetonitriles (8)
2-phenoxypropionic acids (7)
Methoxybenzoic acids and derivatives (7)
N-phenylthioureas (7)
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Iodobenzenes (5)
Toluene diisocyanates (5)
Phenylpropenes (4)
Benzazocines (3)
Bromobenzenes (3)
Phenylacetic acids (3)
Butyrophenones (2)
Phenoxides (2)
Phenylpyruvic acid derivatives (1)

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1 – 15 of 1,394 results
1

Iopromide, TRC

CAS: 73334-07-3 Molecular Formula: C18 H24 I3 N3 O8 Molecular Weight (g/mol): 791.11 Synonym: Iopromide,N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methylbenzene-1,3-dicarboxamide,1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-,1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methyl- (9CI),Iopromide,Iopromidum,SHL 414C,Ultravist,Ultravist 300,Ultravist 370,ZK 35760 IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide SMILES: COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I

CAS 73334-07-3
Molecular Weight (g/mol) 791.11
SMILES COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
Synonym Iopromide,N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methylbenzene-1,3-dicarboxamide,1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-,1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methyl- (9CI),Iopromide,Iopromidum,SHL 414C,Ultravist,Ultravist 300,Ultravist 370,ZK 35760
IUPAC Name 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
Molecular Formula C18 H24 I3 N3 O8
2

Iodixanol, TRC

CAS: 92339-11-2 Molecular Formula: C35 H44 I6 N6 O15 Molecular Weight (g/mol): 1550.18 Synonym: 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide,2-5410-3A,Iodixanol,OptiPrep,Visipaque,Visipaque 270 IUPAC Name: 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I

CAS 92339-11-2
Molecular Weight (g/mol) 1550.18
SMILES CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I
Synonym 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide,2-5410-3A,Iodixanol,OptiPrep,Visipaque,Visipaque 270
IUPAC Name 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula C35 H44 I6 N6 O15
3

Fluoxetine Hydrochloride, TRC

CAS: 56296-78-7 Molecular Weight (g/mol): 345.79 Synonym: Fluoxetine Hydrochloride,N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine hydrochloride (1:1),(±)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine hydrochloride,Adofen,Affectine,Alzac 20,Ansilan,Deproxin,Digassim,Erocap,Fluctin,Fluctine,Fludac,Flufran,Flunil,Fluox-Puren,Fluoxac,Fluoxeren,Fluoxetine hydrochloride,Fluoxil,Flutin,Flutine,Fluxen,Fluxetyl,Fluxil,Fontex,Foxetin,LY 110140,Lilly 110140,Lorien,Lovan,Margrilan,Modipran,N-Methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine hydrochloride,Neupax,Nodepe,Nopres,Nuzak,Octozac,Oxedep,Pluzac,Pragmaten,Prizma,Proctin,Prodep,Profluzac,Prozac,Prozac 20,Reconcile,Reneuron,Rowexetina,Salipax,Sanzur,Sarafem,Sinzac,Zactin,Zedprex,Zepax IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: Cl.CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2

CAS 56296-78-7
Molecular Weight (g/mol) 345.79
SMILES Cl.CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
Synonym Fluoxetine Hydrochloride,N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine hydrochloride (1:1),(±)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine hydrochloride,Adofen,Affectine,Alzac 20,Ansilan,Deproxin,Digassim,Erocap,Fluctin,Fluctine,Fludac,Flufran,Flunil,Fluox-Puren,Fluoxac,Fluoxeren,Fluoxetine hydrochloride,Fluoxil,Flutin,Flutine,Fluxen,Fluxetyl,Fluxil,Fontex,Foxetin,LY 110140,Lilly 110140,Lorien,Lovan,Margrilan,Modipran,N-Methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine hydrochloride,Neupax,Nodepe,Nopres,Nuzak,Octozac,Oxedep,Pluzac,Pragmaten,Prizma,Proctin,Prodep,Profluzac,Prozac,Prozac 20,Reconcile,Reneuron,Rowexetina,Salipax,Sanzur,Sarafem,Sinzac,Zactin,Zedprex,Zepax
IUPAC Name N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
4

Bisphenol F, TRC

CAS: 620-92-8 Molecular Formula: C13 H12 O2 Molecular Weight (g/mol): 200.23 Synonym: Phenol, 4,4'-methylenedi- (8CI),Phenol, p,p'-methylenedi- (4CI),4,4'-Methylenebis[phenol],1,1-Bis(4-hydroxyphenyl)methane,4,4'-Bis(hydroxyphenyl)methane,4,4'-Dihydroxydiphenylmethane,4,4'-Methylenediphenol,Bis(4-hydroxyphenyl)methane,Bis(p-hydroxyphenyl)methane,Bisphenol F,HDM,NSC 401136,PP-BIP-F,p,p'-BPF,p-(p-Hydroxybenzyl)phenol IUPAC Name: 4-[(4-hydroxyphenyl)methyl]phenol SMILES: Oc1ccc(Cc2ccc(O)cc2)cc1

CAS 620-92-8
Molecular Weight (g/mol) 200.23
SMILES Oc1ccc(Cc2ccc(O)cc2)cc1
Synonym Phenol, 4,4'-methylenedi- (8CI),Phenol, p,p'-methylenedi- (4CI),4,4'-Methylenebis[phenol],1,1-Bis(4-hydroxyphenyl)methane,4,4'-Bis(hydroxyphenyl)methane,4,4'-Dihydroxydiphenylmethane,4,4'-Methylenediphenol,Bis(4-hydroxyphenyl)methane,Bis(p-hydroxyphenyl)methane,Bisphenol F,HDM,NSC 401136,PP-BIP-F,p,p'-BPF,p-(p-Hydroxybenzyl)phenol
IUPAC Name 4-[(4-hydroxyphenyl)methyl]phenol
Molecular Formula C13 H12 O2
5

Flufenoxuron, TRC

CAS: 101463-69-8 Molecular Formula: C21 H11 Cl F6 N2 O3 Molecular Weight (g/mol): 488.77 Synonym: N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide,Cascade,Cascade (pesticide),Flufenoxuron,WL 115110,Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro- IUPAC Name: N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F

CAS 101463-69-8
Molecular Weight (g/mol) 488.77
SMILES Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F
Synonym N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide,Cascade,Cascade (pesticide),Flufenoxuron,WL 115110,Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
IUPAC Name N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
Molecular Formula C21 H11 Cl F6 N2 O3
6

Geraniolene, TRC

CAS: 6709-39-3 Molecular Formula: C9H16 Molecular Weight (g/mol): 124.22 Synonym: 2,6-Dimethylhepta-1,5-diene IUPAC Name: 2,6-dimethylhepta-1,5-diene SMILES: CC(=CCCC(=C)C)C

CAS 6709-39-3
Molecular Weight (g/mol) 124.22
SMILES CC(=CCCC(=C)C)C
Synonym 2,6-Dimethylhepta-1,5-diene
IUPAC Name 2,6-dimethylhepta-1,5-diene
Molecular Formula C9H16
7

Methoxyphenone, TRC

CAS: 41295-28-7 Molecular Formula: C16 H16 O2 Molecular Weight (g/mol): 240.3 Synonym: Methanone, (4-methoxy-3-methylphenyl)(3-methylphenyl)- (9CI, ACI),(4-Methoxy-3-methylphenyl)(3-methylphenyl)methanone (ACI),(4-Methoxy-3-methylphenyl)(m-tolyl)methanone,3,3'-Dimethyl-4-methoxybenzophenone,4-Methoxy-3,3'-dimethylbenzophenone,4-Methoxy-3-methylphenyl 3-methylphenyl ketone,Kayacure MBP,Methoxyphenone,NK 049 IUPAC Name: (4-methoxy-3-methylphenyl)-(3-methylphenyl)methanone SMILES: COc1ccc(cc1C)C(=O)c2cccc(C)c2

CAS 41295-28-7
Molecular Weight (g/mol) 240.3
SMILES COc1ccc(cc1C)C(=O)c2cccc(C)c2
Synonym Methanone, (4-methoxy-3-methylphenyl)(3-methylphenyl)- (9CI, ACI),(4-Methoxy-3-methylphenyl)(3-methylphenyl)methanone (ACI),(4-Methoxy-3-methylphenyl)(m-tolyl)methanone,3,3'-Dimethyl-4-methoxybenzophenone,4-Methoxy-3,3'-dimethylbenzophenone,4-Methoxy-3-methylphenyl 3-methylphenyl ketone,Kayacure MBP,Methoxyphenone,NK 049
IUPAC Name (4-methoxy-3-methylphenyl)-(3-methylphenyl)methanone
Molecular Formula C16 H16 O2
8

Cyhalofop, TRC

CAS: 122008-78-0 Molecular Formula: C16 H12 F N O4 Molecular Weight (g/mol): 301.27 Synonym: Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, (R)-,(2R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propanoic acid,(R)-(+)-2-[4-(2-Fluoro-4-cyanophenoxy)phenoxy]propanoic acid,Cyhalofop,Cyhalofop acid IUPAC Name: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid SMILES: C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(=O)O

CAS 122008-78-0
Molecular Weight (g/mol) 301.27
SMILES C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(=O)O
Synonym Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, (R)-,(2R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propanoic acid,(R)-(+)-2-[4-(2-Fluoro-4-cyanophenoxy)phenoxy]propanoic acid,Cyhalofop,Cyhalofop acid
IUPAC Name (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
Molecular Formula C16 H12 F N O4
9

Sulfacetamide, TRC

CAS: 144-80-9 Molecular Formula: C8 H10 N2 O3 S Molecular Weight (g/mol): 214.24 Synonym: N-[(4-Aminophenyl)sulfonyl]acetamide,Sulfacetamide,Sulfadimidine Imp. E (Pharmeuropa) IUPAC Name: N-(4-aminophenyl)sulfonylacetamide SMILES: CC(=O)NS(=O)(=O)c1ccc(N)cc1

CAS 144-80-9
Molecular Weight (g/mol) 214.24
SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Synonym N-[(4-Aminophenyl)sulfonyl]acetamide,Sulfacetamide,Sulfadimidine Imp. E (Pharmeuropa)
IUPAC Name N-(4-aminophenyl)sulfonylacetamide
Molecular Formula C8 H10 N2 O3 S
10

Fenpropidin, TRC

CAS: 67306-00-7 Molecular Formula: C19 H31 N Molecular Weight (g/mol): 273.46 Synonym: 1-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]piperidine,F 3240,Fenpropidin,Fenpropidine,Mildin,Patrol,Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]- IUPAC Name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine SMILES: CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C

CAS 67306-00-7
Molecular Weight (g/mol) 273.46
SMILES CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C
Synonym 1-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]piperidine,F 3240,Fenpropidin,Fenpropidine,Mildin,Patrol,Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-
IUPAC Name 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
Molecular Formula C19 H31 N
11

Methyldiphenylmethane, TRC

CAS: 612-00-0 Molecular Formula: C14H14 Molecular Weight (g/mol): 182.26 Synonym: 1,1'-Ethylidenebis[benzene],1,1-Diphenylethane,NSC 33534,Pabsol 300 IUPAC Name: 1-phenylethylbenzene SMILES: CC(c1ccccc1)c2ccccc2

CAS 612-00-0
Molecular Weight (g/mol) 182.26
SMILES CC(c1ccccc1)c2ccccc2
Synonym 1,1'-Ethylidenebis[benzene],1,1-Diphenylethane,NSC 33534,Pabsol 300
IUPAC Name 1-phenylethylbenzene
Molecular Formula C14H14
12

Fasentin, TRC

CAS: 392721-37-8 Molecular Formula: C11H9ClF3NO2 Molecular Weight (g/mol): 279.64 Synonym: N-(4-Chloro-3-(trifluoromethyl)phenyl)-3-oxobutanamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide SMILES: CC(CC(NC1=CC(C(F)(F)F)=C(Cl)C=C1)=O)=O

CAS 392721-37-8
Molecular Weight (g/mol) 279.64
SMILES CC(CC(NC1=CC(C(F)(F)F)=C(Cl)C=C1)=O)=O
Synonym N-(4-Chloro-3-(trifluoromethyl)phenyl)-3-oxobutanamide
IUPAC Name N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
Molecular Formula C11H9ClF3NO2
13

Ebrotidine, TRC

CAS: 100981-43-9 Molecular Formula: C14H17BrN6O2S3 Molecular Weight (g/mol): 477.42 Synonym: [N(E)]-N-[[[2-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]ethyl]amino]methylene]-4-bromobenzenesulfonamide,Ebrodin,FI 3542,Ulsanic SMILES: NC(=N)Nc1nc(CSCCNC=NS(=O)(=O)c2ccc(Br)cc2)cs1

CAS 100981-43-9
Molecular Weight (g/mol) 477.42
SMILES NC(=N)Nc1nc(CSCCNC=NS(=O)(=O)c2ccc(Br)cc2)cs1
Synonym [N(E)]-N-[[[2-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]ethyl]amino]methylene]-4-bromobenzenesulfonamide,Ebrodin,FI 3542,Ulsanic
Molecular Formula C14H17BrN6O2S3
14

Succinylsulfathiazole, TRC

CAS: 116-43-8 Molecular Formula: C13 H13 N3 O5 S2 Molecular Weight (g/mol): 355.39 Synonym: Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-,Succinanilic acid, 4'-(2-thiazolylsulfamoyl)- (7CI,8CI),2-(N4-Succinylsulfanilamido)thiazole,4'-(2-Thiazolylsulfamoyl)succinanilic acid,Colistatin,Cremosuxidine,Kaoxidin,Kaoxidine,NSC 14193,NSC 163939,Rolsul,Succinylsulfathiazole,Succinylsulphathiazole,Sulfadigesin,Sulfasuccidin,Sulfasuccidine,Sulfasuccinil,Sulfasuccithiazole,Sulfasuxidine,Sulfenterone,Thiacyl,p-2-Thiazolylsulfamylsuccinanilic acid IUPAC Name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid SMILES: OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2

CAS 116-43-8
Molecular Weight (g/mol) 355.39
SMILES OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
Synonym Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-,Succinanilic acid, 4'-(2-thiazolylsulfamoyl)- (7CI,8CI),2-(N4-Succinylsulfanilamido)thiazole,4'-(2-Thiazolylsulfamoyl)succinanilic acid,Colistatin,Cremosuxidine,Kaoxidin,Kaoxidine,NSC 14193,NSC 163939,Rolsul,Succinylsulfathiazole,Succinylsulphathiazole,Sulfadigesin,Sulfasuccidin,Sulfasuccidine,Sulfasuccinil,Sulfasuccithiazole,Sulfasuxidine,Sulfenterone,Thiacyl,p-2-Thiazolylsulfamylsuccinanilic acid
IUPAC Name 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
Molecular Formula C13 H13 N3 O5 S2
15

Diphenylpyraline, TRC

CAS: 147-20-6 Molecular Formula: C19 H23 N O Molecular Weight (g/mol): 281.39 Synonym: Diphenylpyraline,4-(Diphenylmethoxy)-1-methylpiperidine,1-Methyl-4-piperidyl benzhydryl ether,4-(Benzhydryloxy)-1-methylpiperidine,AN 1041,Diphenpyraline,Diphenylpyraline,Diphenylpyrilene,Hystryl,Lyssipoll,Mepiben,N-Methyl-4-(benzhydryloxy)piperidine,Neargal,P 253 IUPAC Name: 4-benzhydryloxy-1-methylpiperidine SMILES: CN1CCC(CC1)OC(c2ccccc2)c3ccccc3

CAS 147-20-6
Molecular Weight (g/mol) 281.39
SMILES CN1CCC(CC1)OC(c2ccccc2)c3ccccc3
Synonym Diphenylpyraline,4-(Diphenylmethoxy)-1-methylpiperidine,1-Methyl-4-piperidyl benzhydryl ether,4-(Benzhydryloxy)-1-methylpiperidine,AN 1041,Diphenpyraline,Diphenylpyraline,Diphenylpyrilene,Hystryl,Lyssipoll,Mepiben,N-Methyl-4-(benzhydryloxy)piperidine,Neargal,P 253
IUPAC Name 4-benzhydryloxy-1-methylpiperidine
Molecular Formula C19 H23 N O