dimethyl (1S,2S,4R)-2-phenylcyclohexane-1,4-dicarboxylate

Systemtic Name: dimethyl (1S,2S,4R)-2-phenylcyclohexane-1,4-dicarboxylate Openeye Name: dimethyl (1S,2S,4R)-2-phenylcyclohexane-1,4-dicarboxylate CAS Name: (1S,2S,4R)-2-phenylcyclohexane-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2S,4R)-2-phenylcyclohexane-1,4-dicarboxylate Traditional Name: (1S,2S,4R)-2-phenylcyclohexane-1,4-dicarboxylic acid dimethyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(C1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1CC[C@@H]([C@H](C1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20O4/c1-19-15(17)12-8-9-13(16(18)20-2)14(10-12)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-/m1/s1