[(3R,4S,5R)-3,5-dimethyl-6-oxidanylidene-oct-1-en-4-yl] benzoate

Systemtic Name: [(3R,4S,5R)-3,5-dimethyl-6-oxidanylidene-oct-1-en-4-yl] benzoate Openeye Name: [(1S,2R)-2-methyl-1-[(1R)-1-methylallyl]-3-oxo-pentyl] benzoate CAS Name: benzoic acid [(3R,4S,5R)-3,5-dimethyl-6-oxooct-1-en-4-yl] ester IUPAC Name: [(3R,4S,5R)-3,5-dimethyl-6-oxooct-1-en-4-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-1-[(1R)-2-keto-1-methyl-butyl]-2-methyl-but-3-enyl] ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C(C)C=C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-5-12(3)16(13(4)15(18)6-2)20-17(19)14-10-8-7-9-11-14/h5,7-13,16H,1,6H2,2-4H3/t12-,13+,16+/m1/s1