2-(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoate

Systemtic Name: 2-(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoate Openeye Name: 2-(4,4-dimethyl-2-oxido-6-oxo-cyclohexen-1-yl)sulfanylbenzoate CAS Name: 2-[(4,4-dimethyl-2-oxido-6-oxo-1-cyclohexenyl)thio]benzoate IUPAC Name: 2-(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)sulfanylbenzoate Traditional Name: 2-[(6-keto-4,4-dimethyl-2-oxido-cyclohexen-1-yl)thio]benzoate Formula: C15H14O4S-2 MolecularWeight: 290.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)[O-])[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)[O-])[O-])C

InChI

InChI=1S/C15H16O4S/c1-15(2)7-10(16)13(11(17)8-15)20-12-6-4-3-5-9(12)14(18)19/h3-6,16H,7-8H2,1-2H3,(H,18,19)/p-2