2-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzenesulfonic acid

Systemtic Name: 2-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzenesulfonic acid Openeye Name: 2-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]besylic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O4S/c1-12-15(11-13-7-5-6-10-16(13)24(21,22)23)17(20)19(18-12)14-8-3-2-4-9-14/h2-11H,1H3,(H,21,22,23)/b15-11-