3-{[4-({4-[Ethyl(4-sulfobenzyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonic acid
[CAS# 85959-35-9]

Identification

• Name: 3-{[4-({4-[Ethyl(4-sulfobenzyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonic acid
• Synonyms: 3-[[4-[[4-[ethyl[(4-sulphophenyl)methyl]amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonic acid
• Molecular Formula: C₃₁H₂₇N₅O₆S₂
• Molecular Weight: 629.71
• CAS Registry Number: 85959-35-9
• EINECS: 289-027-9
• SMILES: OS(=O)(=O)c1ccc(cc1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S(O)(=O)=O)c4ccccc45
• InChI: 1S/C31H27N5O6S2/c1-2-36(21-22-10-16-26(17-11-22)43(37,38)39)25-14-12-23(13-15-25)32-34-30-18-19-31(29-9-4-3-8-28(29)30)35-33-24-6-5-7-27(20-24)44(40,41)42/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42)
• InChIKey: HHPJBJQLUFRROB-UHFFFAOYSA-N

Properties

• Density: 1.394g/cm³ (Cal.)