methyl 2,5-dimethyl-4-(2-oxidanylidenecyclohexyl)sulfanyl-benzoate

Systemtic Name: methyl 2,5-dimethyl-4-(2-oxidanylidenecyclohexyl)sulfanyl-benzoate Openeye Name: methyl 2,5-dimethyl-4-(2-oxocyclohexyl)sulfanyl-benzoate CAS Name: 2,5-dimethyl-4-[(2-oxocyclohexyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-(2-oxocyclohexyl)sulfanylbenzoate Traditional Name: 4-[(2-ketocyclohexyl)thio]-2,5-dimethyl-benzoic acid methyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)C)SC2CCCCC2=O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)C)SC2CCCCC2=O

InChI

InChI=1S/C16H20O3S/c1-10-9-15(11(2)8-12(10)16(18)19-3)20-14-7-5-4-6-13(14)17/h8-9,14H,4-7H2,1-3H3