Trisodium 7-[[4-[[[[2-Methoxy-4-[(3-Sulphonatophenyl)Azo]Phenyl]Amino]Carbonyl]Amino]-O-Tolyl]Azo]Naphthalene-1,3-Disulphonate
[CAS# 67969-87-3]

Identification

• Name: Trisodium 7-[[4-[[[[2-Methoxy-4-[(3-Sulphonatophenyl)Azo]Phenyl]Amino]Carbonyl]Amino]-O-Tolyl]Azo]Naphthalene-1,3-Disulphonate
• Synonyms: Trisodium 7-[4-[[2-Methoxy-4-(3-Sulfonatophenyl)Azo-Phenyl]Carbamoylamino]-2-Methyl-Phenyl]Azonaphthalene-1,3-Disulfonate; Trisodium 7-[4-[[[[2-Methoxy-4-(3-Sulfonatophenyl)Azophenyl]Amino]-Oxomethyl]Amino]-2-Methylphenyl]Azonaphthalene-1,3-Disulfonate; Trisodium 7-[4-[[2-Methoxy-4-(3-Sulfonatophenyl)Diazenyl-Phenyl]Carbamoylamino]-2-Methyl-Phenyl]Diazenylnaphthalene-1,3-Disulfonate
• Molecular Formula: C₃₁H₂₃N₆Na₃O₁₁S₃
• Molecular Weight: 820.71
• CAS Registry Number: 67969-87-3
• EINECS: 267-989-0
• SMILES: C1=C([S]([O-])(=O)=O)C=C5C(=C1[S]([O-])(=O)=O)C=C(N=NC4=C(C=C(NC(=O)NC3=C(OC)C=C(N=NC2=CC(=CC=C2)[S]([O-])(=O)=O)C=C3)C=C4)C)C=C5.[Na+].[Na+].[Na+]
• InChI: 1S/C31H26N6O11S3.3Na/c1-18-12-20(8-10-27(18)37-36-22-7-6-19-13-25(50(42,43)44)17-30(26(19)15-22)51(45,46)47)32-31(38)33-28-11-9-23(16-29(28)48-2)35-34-21-4-3-5-24(14-21)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3
• InChIKey: FWLOBTCGBAFLDZ-UHFFFAOYSA-K