Trisodium 3-[[4-[[[[2-Methoxy-4-[(3-Sulphonatophenyl)Azo]Phenyl]Amino]Carbonyl]Amino]-o-Tolyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 28706-19-6]

Identification

• Name: Trisodium 3-[[4-[[[[2-Methoxy-4-[(3-Sulphonatophenyl)Azo]Phenyl]Amino]Carbonyl]Amino]-o-Tolyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Trisodium 3-[4-[[2-Methoxy-4-(3-Sulfonatophenyl)Azo-Phenyl]Carbamoylamino]-2-Methyl-Phenyl]Azonaphthalene-1,5-Disulfonate; Trisodium 3-[4-[[[[2-Methoxy-4-(3-Sulfonatophenyl)Azophenyl]Amino]-Oxomethyl]Amino]-2-Methylphenyl]Azonaphthalene-1,5-Disulfonate; Trisodium 3-[4-[[2-Methoxy-4-(3-Sulfonatophenyl)Diazenyl-Phenyl]Carbamoylamino]-2-Methyl-Phenyl]Diazenylnaphthalene-1,5-Disulfonate
• Molecular Formula: C₃₁H₂₃N₆Na₃O₁₁S₃
• Molecular Weight: 820.71
• CAS Registry Number: 28706-19-6
• EINECS: 249-167-3
• SMILES: C1=C5C(=C([S]([O-])(=O)=O)C=C1N=NC4=CC=C(NC(=O)NC3=CC=C(N=NC2=CC=CC(=C2)[S]([O-])(=O)=O)C=C3OC)C=C4C)C=CC=C5[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C31H26N6O11S3.3Na/c1-18-13-19(9-11-26(18)37-36-22-15-25-24(30(17-22)51(45,46)47)7-4-8-29(25)50(42,43)44)32-31(38)33-27-12-10-21(16-28(27)48-2)35-34-20-5-3-6-23(14-20)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: ANYFCNHZKDSDER-UHFFFAOYSA-K