2-(2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoate

Systemtic Name: 2-(2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoate Openeye Name: 2-(2-oxido-6-oxo-cyclohexen-1-yl)sulfanylbenzoate CAS Name: 2-[(2-oxido-6-oxo-1-cyclohexenyl)thio]benzoate IUPAC Name: 2-(2-oxido-6-oxocyclohexen-1-yl)sulfanylbenzoate Traditional Name: 2-[(6-keto-2-oxido-cyclohexen-1-yl)thio]benzoate Formula: C13H10O4S-2 MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)[O-])[O-]

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)[O-])[O-]

InChI

InChI=1S/C13H12O4S/c14-9-5-3-6-10(15)12(9)18-11-7-2-1-4-8(11)13(16)17/h1-2,4,7,14H,3,5-6H2,(H,16,17)/p-2