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

Systemtic Name: [(3S,4S,5R)-3,5-dimethyl-6-oxidanylidene-oct-1-en-4-yl] ethanoate Openeye Name: [(1S,2R)-2-methyl-1-[(1S)-1-methylallyl]-3-oxo-pentyl] acetate CAS Name: acetic acid [(3S,4S,5R)-3,5-dimethyl-6-oxooct-1-en-4-yl] ester IUPAC Name: [(3S,4S,5R)-3,5-dimethyl-6-oxooct-1-en-4-yl] acetate Traditional Name: acetic acid [(1S,2S)-1-[(1R)-2-keto-1-methyl-butyl]-2-methyl-but-3-enyl] ester Formula: C12H20O3 MolecularWeight: 212.2854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C(C)C=C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-6-8(3)12(15-10(5)13)9(4)11(14)7-2/h6,8-9,12H,1,7H2,2-5H3/t8-,9-,12-/m0/s1