Sodium 2-{[2-amino-6-({4'-[(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3'-dimethoxy-4-biphenylyl}diazenyl)-5-hydroxy-7-sulfo-1-naphthyl]diazenyl}-5-nitrobenzoate
[CAS# 93964-42-2]

Identification

• Name: Sodium 2-{[2-amino-6-({4'-[(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3'-dimethoxy-4-biphenylyl}diazenyl)-5-hydroxy-7-sulfo-1-naphthyl]diazenyl}-5-nitrobenzoate
• Synonyms: sodium 2-[[2-amino-6-[[4'-[(3-carboxy-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoate
• Molecular Formula: C₃₈H₂₇N₈NaO₁₃S
• Molecular Weight: 858.72
• CAS Registry Number: 93964-42-2
• EINECS: 300-889-8
• SMILES: [Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S(O)(=O)=O)c6ccc(N=Nc5cc(C(O)=O)c(O)cc5)c(OC)c6
• InChI: 1S/C38H28N8O13S.Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);/q;+1/p-1
• InChIKey: KIECRFLINDFGMD-UHFFFAOYSA-M