sodium 2-[(Z)-(3-methyl-5-oxidanylidene-1H-pyrazol-4-ylidene)-phenyl-methyl]benzenesulfonate

Systemtic Name: sodium 2-[(Z)-(3-methyl-5-oxidanylidene-1H-pyrazol-4-ylidene)-phenyl-methyl]benzenesulfonate Openeye Name: sodium 2-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)-phenyl-methyl]benzenesulfonate CAS Name: sodium 2-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)-phenylmethyl]benzenesulfonate IUPAC Name: sodium 2-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)-phenylmethyl]benzenesulfonate Traditional Name: sodium 2-[(Z)-(3-keto-5-methyl-2-pyrazolin-4-ylidene)-phenyl-methyl]besylate Formula: C17H13N2NaO4S MolecularWeight: 364.35089

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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-].[Na+]

Isomeric SMILES

CC\1=NNC(=O)/C1=C(/C2=CC=CC=C2)\C3=CC=CC=C3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H14N2O4S.Na/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);/q;+1/p-1/b16-15-;