4-chloranyl-3-[4-[(2-decoxycarbonylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-3-[4-[(2-decoxycarbonylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-chloro-3-[4-(2-decoxycarbonylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-chloro-3-[4-[2-[decoxy(oxo)methyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-chloro-3-[4-[(2-decoxycarbonylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-chloro-3-[4-(2-decoxycarbonylphenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C27H33ClN4O6S MolecularWeight: 577.09212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC=CC=C1N=NC2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl)C

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=CC=C1N=NC2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)O)Cl)C

InChI

InChI=1S/C27H33ClN4O6S/c1-3-4-5-6-7-8-9-12-17-38-27(34)21-13-10-11-14-23(21)29-30-25-19(2)31-32(26(25)33)24-18-20(39(35,36)37)15-16-22(24)28/h10-11,13-16,18,25H,3-9,12,17H2,1-2H3,(H,35,36,37)