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

Systemtic Name: 4-[4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(2,5-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-(2,5-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(2,5-dimethylphenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C18H18N4O4S/c1-11-4-5-12(2)16(10-11)19-20-17-13(3)21-22(18(17)23)14-6-8-15(9-7-14)27(24,25)26/h4-10,17H,1-3H3,(H,24,25,26)