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Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.

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1

1-Heptanesulfonic acid sodium salt monohydrate, HPLC grade
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CAS: 207300-90-1 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc PubChem CID: 23687711 IUPAC Name: sodium;heptane-1-sulfonate;hydrate SMILES: CCCCCCCS(=O)(=O)[O-].O.[Na+]

PubChem CID 23687711
CAS 207300-90-1
SMILES CCCCCCCS(=O)(=O)[O-].O.[Na+]
Synonym sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc
IUPAC Name sodium;heptane-1-sulfonate;hydrate
InChI Key XWZCREJRXRKIRQ-UHFFFAOYSA-M
2

1-hexanesulfonic acid, sodium salt hydrate, 99%

CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium;hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O

PubChem CID 23677630
CAS 2832-45-3
Molecular Weight (g/mol) 188.22
MDL Number MFCD00007542
SMILES [Na+].CCCCCCS([O-])(=O)=O
Synonym sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt
IUPAC Name sodium;hexane-1-sulfonate
InChI Key QWSZRRAAFHGKCH-UHFFFAOYSA-M
Molecular Formula C6H13NaO3S
3

1-Butanesulfonic acid, sodium salt, 99+%, HPLC grade
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CAS: 2386-54-1 Molecular Formula: C4H9NaO3S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007540 InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M Synonym: sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot PubChem CID: 4096517 IUPAC Name: sodium;butane-1-sulfonate SMILES: [Na+].CCCCS([O-])(=O)=O

PubChem CID 4096517
CAS 2386-54-1
Molecular Weight (g/mol) 160.16
MDL Number MFCD00007540
SMILES [Na+].CCCCS([O-])(=O)=O
Synonym sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot
IUPAC Name sodium;butane-1-sulfonate
InChI Key XQCHMGAOAWZUPI-UHFFFAOYSA-M
Molecular Formula C4H9NaO3S
4

KN-62

CAS: 127191-97-3 Molecular Formula: C38H35N5O6S2 Molecular Weight (g/mol): 721.85 MDL Number: MFCD00083180 InChI Key: RJVLFQBBRSMWHX-UHFFFAOYNA-N Synonym: s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester PubChem CID: 5312126 IUPAC Name: [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate SMILES: CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1

PubChem CID 5312126
CAS 127191-97-3
Molecular Weight (g/mol) 721.85
MDL Number MFCD00083180
SMILES CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1
Synonym s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester
IUPAC Name [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
InChI Key RJVLFQBBRSMWHX-UHFFFAOYNA-N
Molecular Formula C38H35N5O6S2