S-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl] benzenecarbothioate Openeye Name: S-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl] ester IUPAC Name: S-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl] ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)CSC(=O)C2=CC=CC=C2)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)CSC(=O)C2=CC=CC=C2)O)C

InChI

InChI=1S/C16H18O3S/c1-16(2)8-13(17)12(14(18)9-16)10-20-15(19)11-6-4-3-5-7-11/h3-7,17H,8-10H2,1-2H3