Trisodium 3-[[4-[[[4-[[2-(Acetylamino)-4-Hydroxyphenyl]Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-4-Amino-5-Hydroxy-6-[(4-Sulphonatophenyl)Azo]Naphthalene-2,7-Disulphonate
[CAS# 67461-03-4]

Identification

• Name: Trisodium 3-[[4-[[[4-[[2-(Acetylamino)-4-Hydroxyphenyl]Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-4-Amino-5-Hydroxy-6-[(4-Sulphonatophenyl)Azo]Naphthalene-2,7-Disulphonate
• Synonyms: Trisodium (6Z)-3-[4-[[4-[(N'e)-N'-(2-Acetamido-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Carbamoyl]Phenyl]Azo-4-Amino-5-Oxo-6-[(4-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (6Z)-3-[4-[[[4-[(N'e)-N'-(2-Acetamido-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Amino]-Oxomethyl]Phenyl]Azo-4-Amino-5-Oxo-6-[(4-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (6Z)-3-[4-[[4-[(N'e)-N'-(2-Acetamido-4-Keto-1-Cyclohexa-2,5-Dienylidene)Hydrazino]Phenyl]Carbamoyl]Phenyl]Azo-4-Amino-5-Keto-6-[(4-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₇H₂₆N₉Na₃O₁₃S₃
• Molecular Weight: 969.81
• CAS Registry Number: 67461-03-4
• EINECS: 266-696-5
• SMILES: C1=C6C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC2=CC=C(C=C2)C(=O)NC4=CC=C(N\N=C3\C(=CC(=O)C=C3)NC(=O)C)C=C4)C(=O)C(=N/NC5=CC=C([S]([O-])(=O)=O)C=C5)/C(=C6)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C37H29N9O13S3.3Na/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53;;;/h2-18,41,43H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;/q;3*+1/p-3/b44-28+,45-42?,46-35+
• InChIKey: FZRMQPVYNAITFQ-FYIWCGMPSA-K