3-oxidanylidene-2-(phenylsulfonylmethyl)cyclohexen-1-olate

Systemtic Name: 3-oxidanylidene-2-(phenylsulfonylmethyl)cyclohexen-1-olate Openeye Name: 2-(benzenesulfonylmethyl)-3-oxo-cyclohexen-1-olate CAS Name: 2-(benzenesulfonylmethyl)-3-oxo-1-cyclohexenolate IUPAC Name: 2-(benzenesulfonylmethyl)-3-oxocyclohexen-1-olate Traditional Name: 2-(besylmethyl)-3-keto-cyclohexen-1-olate Formula: C13H13O4S- MolecularWeight: 265.30492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

C1CC(=C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H14O4S/c14-12-7-4-8-13(15)11(12)9-18(16,17)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2/p-1