[(1R,5R)-1-deuterio-5-methyl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1R,5R)-1-deuterio-5-methyl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1R,5R)-1-deuterio-5-methyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5R)-1-deuterio-5-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5R)-1-deuterio-5-methylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5R)-1-deuterio-5-methyl-cyclohex-2-en-1-yl] ester Formula: C14H16O2 MolecularWeight: 217.281802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC(C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

[2H][C@]1(C[C@@H](CC=C1)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-5,7-9,11,13H,6,10H2,1H3/t11-,13+/m1/s1/i13D