dimethyl (1S,2R,3S,4R)-4-methyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: dimethyl (1S,2R,3S,4R)-4-methyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl (1S,2R,3S,4R)-4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3S,4R)-4-hydroxy-4-methyl-2-[4-(methylthio)phenyl]-6-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,3S,4R)-4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3S,4R)-4-hydroxy-6-keto-4-methyl-2-[4-(methylthio)phenyl]cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C18H22O6S MolecularWeight: 366.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)SC)C(=O)OC)O

Isomeric SMILES

C[C@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC)C2=CC=C(C=C2)SC)C(=O)OC)O

InChI

InChI=1S/C18H22O6S/c1-18(22)9-12(19)14(16(20)23-2)13(15(18)17(21)24-3)10-5-7-11(25-4)8-6-10/h5-8,13-15,22H,9H2,1-4H3/t13-,14+,15+,18+/m0/s1