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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1=C(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC\1=NNC(=O)/C1=C(\C2=CC=CC=C2)/C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C17H14N2O4S/c1-11-15(17(20)19-18-11)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)24(21,22)23/h2-10H,1H3,(H,19,20)(H,21,22,23)/b16-15+