4-Amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethyl-4-biphenylyl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
[CAS# 94022-39-6]

Identification

• Name: 4-Amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethyl-4-biphenylyl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
• Synonyms: 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
• Molecular Formula: C₃₆H₃₁N₉O₁₀S₃
• Molecular Weight: 845.88
• CAS Registry Number: 94022-39-6
• EINECS: 301-536-0
• SMILES: Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(C)c5)c(N)c6
• InChI: 1S/C36H31N9O10S3/c1-18-13-20(3-10-27(18)41-43-29-12-5-23(37)17-26(29)38)21-4-11-28(19(2)14-21)42-44-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)39)45-40-24-6-8-25(9-7-24)56(47,48)49/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)
• InChIKey: FGTIKKJKFSWHRW-UHFFFAOYSA-N

Properties

• Density: 1.673g/cm³ (Cal.)