Trisodium 3-{[4-({6-[(4-Aminobenzoyl)Amino]-1-Hydroxy-3-Sulfonato-2-Naphthyl}Diazenyl)-3,5-Dimethylphenyl]Diazenyl}-1,5-Naphthalenedisulfonate
[CAS# 6421-66-5]

Identification

• Name: Trisodium 3-{[4-({6-[(4-Aminobenzoyl)Amino]-1-Hydroxy-3-Sulfonato-2-Naphthyl}Diazenyl)-3,5-Dimethylphenyl]Diazenyl}-1,5-Naphthalenedisulfonate
• Synonyms: 1,5-Naphthalenedisulfonic acid, 3-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3,5-dimethylphenyl]azo]-, trisodium salt
• Molecular Formula: C₃₅H₂₅N₆Na₃O₁₁S₃
• Molecular Weight: 870.77
• CAS Registry Number: 6421-66-5
• SMILES: Cc1cc(cc(c1N=Nc2c(cc3cc(ccc3c2O)NC(=O)c4ccc(cc4)N)S(=O)(=O)[O-])C)N=Nc5cc6c(cccc6S(=O)(=O)[O-])c(c5)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C35H28N6O11S3.3Na/c1-18-12-24(38-39-25-16-28-27(30(17-25)54(47,48)49)4-3-5-29(28)53(44,45)46)13-19(2)32(18)40-41-33-31(55(50,51)52)15-21-14-23(10-11-26(21)34(33)42)37-35(43)20-6-8-22(36)9-7-20;;;/h3-17,42H,36H2,1-2H3,(H,37,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3
• InChIKey: WHYNMFJUGXCCIR-UHFFFAOYSA-K