[(1R,5S)-5-tert-butyl-3-deuterio-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1R,5S)-5-tert-butyl-3-deuterio-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1R,5S)-5-tert-butyl-3-deuterio-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S)-5-tert-butyl-3-deuterio-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5S)-5-tert-butyl-3-deuteriocyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S)-5-tert-butyl-3-deuterio-cyclohex-2-en-1-yl] ester Formula: C17H22O2 MolecularWeight: 259.361542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC=CC(C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22O2/c1-17(2,3)14-10-7-11-15(12-14)19-16(18)13-8-5-4-6-9-13/h4-9,11,14-15H,10,12H2,1-3H3/t14-,15-/m0/s1/i7D