Trisodium 4-Amino-6-({4'-[(6-Anilino-1-Hydroxy-3-Sulfonato-2-Naphthyl)Diazenyl]-3,3'-Dimethoxy-4-Biphenylyl}Diazenyl)-5-Hydroxy-1,3-Naphthalenedisulfonate
[CAS# 6771-80-8]

Identification

• Name: Trisodium 4-Amino-6-({4'-[(6-Anilino-1-Hydroxy-3-Sulfonato-2-Naphthyl)Diazenyl]-3,3'-Dimethoxy-4-Biphenylyl}Diazenyl)-5-Hydroxy-1,3-Naphthalenedisulfonate
• Synonyms: 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt
• Molecular Formula: C₄₀H₂₉N₆Na₃O₁₃S₃
• Molecular Weight: 966.85
• CAS Registry Number: 6771-80-8
• SMILES: COc1cc(ccc1N=Nc2ccc3c(cc(c(c3c2O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(c(c4)OC)N=Nc5c(cc6cc(ccc6c5O)Nc7ccccc7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C40H32N6O13S3.3Na/c1-58-31-17-21(8-13-28(31)43-45-30-15-12-27-33(60(49,50)51)20-34(61(52,53)54)37(41)36(27)40(30)48)22-9-14-29(32(18-22)59-2)44-46-38-35(62(55,56)57)19-23-16-25(10-11-26(23)39(38)47)42-24-6-4-3-5-7-24;;;/h3-20,42,47-48H,41H2,1-2H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3
• InChIKey: ULKHOSYKGOYNLE-UHFFFAOYSA-K