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

Systemtic Name: dimethyl (1S,2R,3R,4S)-2-(3-chlorophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl (1S,2R,3R,4S)-2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,3R,4S)-2-(3-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(3-chlorophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C17H19ClO6 MolecularWeight: 354.78216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-5-4-6-10(18)7-9/h4-7,12-14,22H,8H2,1-3H3/t12-,13+,14-,17-/m0/s1