[(1S,3S)-3-butyl-3-methyl-2-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1S,3S)-3-butyl-3-methyl-2-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1S,3S)-3-butyl-3-methyl-2-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,3S)-3-butyl-3-methyl-2-oxocyclohexyl] ester IUPAC Name: [(1S,3S)-3-butyl-3-methyl-2-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,3S)-3-butyl-2-keto-3-methyl-cyclohexyl] ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCC(C1=O)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3/c1-3-4-12-18(2)13-8-11-15(16(18)19)21-17(20)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3/t15-,18-/m0/s1