Trisodium 5-({2,4-dihydroxy-3-[(3-{3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazol-1-yl}phenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-(phenyldiazenyl)-2,7-naphthalenedisulfonate
[CAS# 85631-86-3]

Identification

• Name: Trisodium 5-({2,4-dihydroxy-3-[(3-{3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazol-1-yl}phenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-(phenyldiazenyl)-2,7-naphthalenedisulfonate
• Synonyms: trisodium 4-[[3-[[3-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonatophenyl)azo]-1H-pyrazol-1-yl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
• Molecular Formula: C₃₈H₂₅N₁₀Na₃O₁₃S₃
• Molecular Weight: 994.83
• CAS Registry Number: 85631-86-3
• EINECS: 288-036-5
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc7cc(cc(N=Nc4ccc(O)c(N=Nc1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(cc2)S([O-])(=O)=O)C3=O)c4O)c7c(O)c6N=Nc5ccccc5)S([O-])(=O)=O
• InChI: 1S/C38H28N10O13S3.3Na/c1-20-33(44-40-23-10-12-26(13-11-23)62(53,54)55)38(52)48(47-20)25-9-5-8-24(18-25)41-45-34-30(49)15-14-28(36(34)50)42-43-29-19-27(63(56,57)58)16-21-17-31(64(59,60)61)35(37(51)32(21)29)46-39-22-6-3-2-4-7-22;;;/h2-19,33,49-51H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3
• InChIKey: OUOXBRUBQVVMAO-UHFFFAOYSA-K