3-{[4-({4-[(2-Acetamido-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-4-amino-5-hydroxy-6-[(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
[CAS# 85959-55-3]

Identification

• Name: 3-{[4-({4-[(2-Acetamido-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-4-amino-5-hydroxy-6-[(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid
• Synonyms: 3-[[4-[[[4-[[2-(acetylamino)-4-hydroxyphenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-4-amino-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
• Molecular Formula: C₃₇H₂₉N₉O₁₃S₃
• Molecular Weight: 903.87
• CAS Registry Number: 85959-55-3
• EINECS: 289-049-9
• SMILES: Oc6ccc(N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)c(NC(C)=O)c6
• InChI: 1S/C37H29N9O13S3/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53/h2-18,48-49H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)
• InChIKey: PEJDQYYKHVNSAQ-UHFFFAOYSA-N

Properties

• Density: 1.706g/cm³ (Cal.)