Trisodium 3-{[4-({6-[(4-Amino-3-Methylbenzoyl)Amino]-1-Hydroxy-3-Sulfonato-2-Naphthyl}Diazenyl)-2-Methylphenyl]Diazenyl}-1,5-Naphthalenedisulfonate
[CAS# 5915-62-8]

Identification

• Name: Trisodium 3-{[4-({6-[(4-Amino-3-Methylbenzoyl)Amino]-1-Hydroxy-3-Sulfonato-2-Naphthyl}Diazenyl)-2-Methylphenyl]Diazenyl}-1,5-Naphthalenedisulfonate
• Synonyms: 1,5-Naphthalenedisulfonic acid, 3-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-2-methylphenyl]azo]-, trisodium salt
• Molecular Formula: C₃₅H₂₅N₆Na₃O₁₁S₃
• Molecular Weight: 870.77
• CAS Registry Number: 5915-62-8
• SMILES: Cc1cc(ccc1N)C(=O)Nc2ccc3c(c2)cc(c(c3O)N=Nc4ccc(c(c4)C)N=Nc5cc6c(cccc6S(=O)(=O)[O-])c(c5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C35H28N6O11S3.3Na/c1-18-12-20(6-10-28(18)36)35(43)37-22-7-9-25-21(14-22)15-32(55(50,51)52)33(34(25)42)41-38-23-8-11-29(19(2)13-23)40-39-24-16-27-26(31(17-24)54(47,48)49)4-3-5-30(27)53(44,45)46;;;/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: AIZOTHWRKQPTGH-UHFFFAOYSA-K