[(1S,5R)-5-ethanoyl-2,4,4-trimethyl-3-(2-oxidanylideneethyl)cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,5R)-5-ethanoyl-2,4,4-trimethyl-3-(2-oxidanylideneethyl)cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,5R)-5-acetyl-2,4,4-trimethyl-3-(2-oxoethyl)cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5R)-5-acetyl-2,4,4-trimethyl-3-(2-oxoethyl)-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5R)-5-acetyl-2,4,4-trimethyl-3-(2-oxoethyl)cyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5R)-5-acetyl-3-(2-ketoethyl)-2,4,4-trimethyl-cyclohex-2-en-1-yl] ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1OC(=O)C2=CC=CC=C2)C(=O)C)(C)C)CC=O

Isomeric SMILES

CC1=C(C([C@@H](C[C@@H]1OC(=O)C2=CC=CC=C2)C(=O)C)(C)C)CC=O

InChI

InChI=1S/C20H24O4/c1-13-16(10-11-21)20(3,4)17(14(2)22)12-18(13)24-19(23)15-8-6-5-7-9-15/h5-9,11,17-18H,10,12H2,1-4H3/t17-,18-/m0/s1