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Acid Blue 3 Sodium Salt (>90%), TRC
Specifications
Specifications
| Chemical Name or Material | Patent Blue 5 (E131) |
| CAS | 20262-76-4 |
| Molecular Formula | C27 H31 N2 O7 S2 . Na |
| Quantity | 10 g |
| Synonym | Ethanaminium, N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1), C.I. Acid Blue 3, monosodium salt (8CI), Ethanaminium, N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, monosodium salt, Ethanaminium, N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, monosodium salt (9CI), C.I. 42051:2, C.I. Food Blue 5:2, Food Blue 5:2, Patent Blue, Patent Blue V, Patent Blue V Sodium Salt, N-[4-[[4-(Diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium monosodium salt, Acid Blue 3 monosodium salt |
| InChI Formula | InChI=1S/C27H32N2O7S2.Na/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;+1/p-1 |
| SMILES | [Na+].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(O)c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-] |
| IUPAC Name | sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate |
| Molecular Weight (g/mol) | 582.66 |
| Formula Weight | 582.147 |
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