[[1-Hydroxy-6-[[[[5-Hydroxy-6-[(2-Methyl-4-Sulphophenyl)Azo]-7-Sulpho-2-Naphthyl]Amino]Carbonyl]Amino]-3-Sulpho-2-Naphthyl]Azo]Benzoic Acid
[CAS# 47897-90-5]

Identification

• Name: [[1-Hydroxy-6-[[[[5-Hydroxy-6-[(2-Methyl-4-Sulphophenyl)Azo]-7-Sulpho-2-Naphthyl]Amino]Carbonyl]Amino]-3-Sulpho-2-Naphthyl]Azo]Benzoic Acid
• Synonyms: 2-[(N'e)-N'-[6-[[(6E)-6-[(2-Methyl-4-Sulfo-Phenyl)Hydrazono]-5-Oxo-7-Sulfo-2-Naphthyl]Carbamoylamino]-1-Oxo-3-Sulfo-2-Naphthylidene]Hydrazino]Benzoic Acid; 2-[(N'e)-N'-[6-[[[[(6E)-6-[(2-Methyl-4-Sulfophenyl)Hydrazono]-5-Oxo-7-Sulfo-2-Naphthyl]Amino]-Oxomethyl]Amino]-1-Oxo-3-Sulfo-2-Naphthylidene]Hydrazino]Benzoic Acid; 2-[(N'e)-N'-[1-Keto-6-[[(6E)-5-Keto-6-[(2-Methyl-4-Sulfo-Phenyl)Hydrazono]-7-Sulfo-2-Naphthyl]Carbamoylamino]-3-Sulfo-2-Naphthylidene]Hydrazino]Benzoic Acid
• Molecular Formula: C₃₅H₂₆N₆O₁₄S₃
• Molecular Weight: 850.80
• CAS Registry Number: 47897-90-5
• EINECS: 256-340-7
• SMILES: C4=C(NC(=O)NC3=CC2=C(C(=O)C(=N/NC1=CC=CC=C1C(O)=O)\C(=C2)[S](O)(=O)=O)C=C3)C=CC6=C4C=C([S](O)(=O)=O)/C(=N/NC5=C(C=C([S](O)(=O)=O)C=C5)C)C6=O
• InChI: 1S/C35H26N6O14S3/c1-17-12-22(56(47,48)49)8-11-26(17)38-40-30-28(57(50,51)52)15-18-13-20(6-9-23(18)32(30)42)36-35(46)37-21-7-10-24-19(14-21)16-29(58(53,54)55)31(33(24)43)41-39-27-5-3-2-4-25(27)34(44)45/h2-16,38-39H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)/b40-30-,41-31-
• InChIKey: ZUNOJYXICPCXOM-QLVAPADBSA-N

Properties

• Density: 1.739g/cm³ (Cal.)