3-[(1-{4-[(4-Amino-3-methylbenzoyl)amino]phenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-chloro-4-hydroxybenzenesulfonic acid
[CAS# 85895-96-1]

Identification

• Name: 3-[(1-{4-[(4-Amino-3-methylbenzoyl)amino]phenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-chloro-4-hydroxybenzenesulfonic acid
• Synonyms: 3-[[1-[4-[(4-amino-3-methylbenzoyl)amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-chloro-4-hydroxybenzenesulphonic acid
• Molecular Formula: C₂₄H₂₁ClN₆O₆S
• Molecular Weight: 556.98
• CAS Registry Number: 85895-96-1
• EINECS: 288-772-7
• SMILES: Nc1ccc(cc1C)C(=O)Nc2ccc(cc2)N4/N=C(/C)C(N=Nc3cc(cc(Cl)c3O)S(O)(=O)=O)C4=O
• InChI: 1S/C24H21ClN6O6S/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37)
• InChIKey: OFGPRXSOMRKYQS-UHFFFAOYSA-N

Properties

• Density: 1.602g/cm³ (Cal.)