4-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-(p-tolylmethylene)pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(4-methylbenzylidene)-2-pyrazolin-1-yl]besylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C18H16N2O4S/c1-12-3-5-14(6-4-12)11-17-13(2)19-20(18(17)21)15-7-9-16(10-8-15)25(22,23)24/h3-11H,1-2H3,(H,22,23,24)/b17-11-