[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-methylsulfanylethanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-methylsulfanylethanoate Openeye Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-methylsulfanylacetate CAS Name: 2-(methylthio)acetic acid [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2-methylsulfanylacetate Traditional Name: 2-(methylthio)acetic acid [2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=O)CSC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=O)CSC)C

InChI

InChI=1S/C19H24O3S/c1-12-6-7-14(13(2)8-12)18-15(20)9-19(3,4)10-16(18)22-17(21)11-23-5/h6-8H,9-11H2,1-5H3