Trisodium 4-Hydroxy-7-[[[[5-Hydroxy-6-[(2-Methyl-4-Sulphonatophenyl)Azo]-7-Sulphonato-2-Naphthyl]Amino]Carbonyl]Amino]-3-(Phenylazo)Naphthalene-2-Sulphonate
[CAS# 84045-67-0]

Identification

• Name: Trisodium 4-Hydroxy-7-[[[[5-Hydroxy-6-[(2-Methyl-4-Sulphonatophenyl)Azo]-7-Sulphonato-2-Naphthyl]Amino]Carbonyl]Amino]-3-(Phenylazo)Naphthalene-2-Sulphonate
• Synonyms: Trisodium (3E)-3-[(2-Methyl-4-Sulfonato-Phenyl)Hydrazono]-4-Oxo-7-[[(6E)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoylamino]Naphthalene-2-Sulfonate; Trisodium (3E)-3-[(2-Methyl-4-Sulfonatophenyl)Hydrazono]-4-Oxo-7-[[Oxo-[[(6E)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Amino]Methyl]Amino]-2-Naphthalenesulfonate; Trisodium (3E)-4-Keto-7-[[(6E)-5-Keto-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoylamino]-3-[(2-Methyl-4-Sulfonato-Phenyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₃₄H₂₃N₆Na₃O₁₂S₃
• Molecular Weight: 872.74
• CAS Registry Number: 84045-67-0
• EINECS: 281-869-5
• SMILES: C4=C(NC(=O)NC3=CC2=C(C(=O)C(=N/NC1=CC=CC=C1)\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.[Na+].[Na+].[Na+]
• InChI: 1S/C34H26N6O12S3.3Na/c1-18-13-24(53(44,45)46)9-12-27(18)38-40-31-29(55(50,51)52)17-20-15-23(8-11-26(20)33(31)42)36-34(43)35-22-7-10-25-19(14-22)16-28(54(47,48)49)30(32(25)41)39-37-21-5-3-2-4-6-21;;;/h2-17,37-38H,1H3,(H2,35,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b39-30-,40-31-
• InChIKey: OOWKQCUMPPQWOX-KHVPUAFYSA-K