4-Amino-3-({4'-[(2,4-dihydroxyphenyl)diazenyl]-3,3'-dimethyl-4-biphenylyl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
[CAS# 94022-40-9]

Identification

• Name: 4-Amino-3-({4'-[(2,4-dihydroxyphenyl)diazenyl]-3,3'-dimethyl-4-biphenylyl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
• Synonyms: 4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
• Molecular Formula: C₃₆H₂₉N₇O₁₂S₃
• Molecular Weight: 847.85
• CAS Registry Number: 94022-40-9
• EINECS: 301-537-6
• SMILES: Oc6cc(O)ccc6N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S(O)(=O)=O)c(O)c3c4N)S(O)(=O)=O)S(O)(=O)=O)c(C)c5
• InChI: 1S/C36H29N7O12S3/c1-18-13-20(3-10-26(18)39-41-28-12-7-24(44)17-29(28)45)21-4-11-27(19(2)14-21)40-42-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)37)43-38-23-5-8-25(9-6-23)56(47,48)49/h3-17,44-46H,37H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)
• InChIKey: YFOGNRPIBSQHTC-UHFFFAOYSA-N

Properties

• Density: 1.673g/cm³ (Cal.)