3-[(2-Chloro-4-nitrophenyl)diazenyl]-5-{[2,4-dihydroxy-5-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxy-2,7-naphthalenedisulfonic acid
[CAS# 72139-01-6]

Identification

• Name: 3-[(2-Chloro-4-nitrophenyl)diazenyl]-5-{[2,4-dihydroxy-5-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxy-2,7-naphthalenedisulfonic acid
• Synonyms: 2,7-Naphthalenedisulfonic acid, 3-[(2-chloro-4-nitrophenyl)azo]-5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-
• Molecular Formula: C₃₄H₂₂ClN₉O₁₆S₃
• Molecular Weight: 944.24
• CAS Registry Number: 72139-01-6
• SMILES: c1cc(ccc1Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])N=Nc3cc(c(cc3O)O)N=Nc4cc(cc5c4c(c(c(c5)S(=O)(=O)O)N=Nc6ccc(cc6Cl)[N+](=O)[O-])O)S(=O)(=O)O
• InChI: 1S/C34H22ClN9O16S3/c35-22-11-19(43(48)49)5-7-23(22)38-42-33-31(63(58,59)60)10-16-9-21(61(52,53)54)13-27(32(16)34(33)47)41-40-26-14-25(28(45)15-29(26)46)39-37-18-3-1-17(2-4-18)36-24-8-6-20(44(50)51)12-30(24)62(55,56)57/h1-15,36,45-47H,(H,52,53,54)(H,55,56,57)(H,58,59,60)
• InChIKey: YWKLZPGZQXHWSR-UHFFFAOYSA-N

Properties

• Density: 1.874g/cm³ (Cal.)