[(1S,3R,4S)-1-cyclohexyl-3-methyl-4-oxidanyl-2-oxidanylidene-hexyl] benzoate

Systemtic Name: [(1S,3R,4S)-1-cyclohexyl-3-methyl-4-oxidanyl-2-oxidanylidene-hexyl] benzoate Openeye Name: [(1S,3R,4S)-1-cyclohexyl-4-hydroxy-3-methyl-2-oxo-hexyl] benzoate CAS Name: benzoic acid [(1S,3R,4S)-1-cyclohexyl-4-hydroxy-3-methyl-2-oxohexyl] ester IUPAC Name: [(1S,3R,4S)-1-cyclohexyl-4-hydroxy-3-methyl-2-oxohexyl] benzoate Traditional Name: benzoic acid [(1S,3R,4S)-1-cyclohexyl-4-hydroxy-2-keto-3-methyl-hexyl] ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)C(C1CCCCC1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC[C@@H]([C@@H](C)C(=O)[C@H](C1CCCCC1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C20H28O4/c1-3-17(21)14(2)18(22)19(15-10-6-4-7-11-15)24-20(23)16-12-8-5-9-13-16/h5,8-9,12-15,17,19,21H,3-4,6-7,10-11H2,1-2H3/t14-,17+,19+/m1/s1