[(3S)-3,7-dimethyl-2-oxidanylidene-oct-6-en-3-yl] benzoate

Systemtic Name: [(3S)-3,7-dimethyl-2-oxidanylidene-oct-6-en-3-yl] benzoate Openeye Name: [(1S)-1-acetyl-1,5-dimethyl-hex-4-enyl] benzoate CAS Name: benzoic acid [(3S)-3,7-dimethyl-2-oxooct-6-en-3-yl] ester IUPAC Name: [(3S)-3,7-dimethyl-2-oxooct-6-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-acetyl-1,5-dimethyl-hex-4-enyl] ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-13(2)9-8-12-17(4,14(3)18)20-16(19)15-10-6-5-7-11-15/h5-7,9-11H,8,12H2,1-4H3/t17-/m0/s1