dimethyl (1R,2R)-3-(2-oxidanylidene-1-phenyl-ethyl)cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2R)-3-(2-oxidanylidene-1-phenyl-ethyl)cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2R)-3-(2-oxo-1-phenyl-ethyl)cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2R)-3-(2-oxo-1-phenylethyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R)-3-(2-oxo-1-phenylethyl)cyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2R)-3-(2-keto-1-phenyl-ethyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC(C1C(=O)OC)C(C=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5/c1-22-17(20)14-10-6-9-13(16(14)18(21)23-2)15(11-19)12-7-4-3-5-8-12/h3-9,11,13-16H,10H2,1-2H3/t13?,14-,15?,16-/m1/s1