[(3S,5R)-6-methyl-2-oxidanylidene-5-(2-oxidanylideneethyl)hept-6-en-3-yl] ethanoate

Systemtic Name: [(3S,5R)-6-methyl-2-oxidanylidene-5-(2-oxidanylideneethyl)hept-6-en-3-yl] ethanoate Openeye Name: [(1S,3R)-1-acetyl-4-methyl-3-(2-oxoethyl)pent-4-enyl] acetate CAS Name: acetic acid [(3S,5R)-6-methyl-2-oxo-5-(2-oxoethyl)hept-6-en-3-yl] ester IUPAC Name: [(3S,5R)-6-methyl-2-oxo-5-(2-oxoethyl)hept-6-en-3-yl] acetate Traditional Name: acetic acid [(1S,3R)-1-acetyl-3-(2-ketoethyl)-4-methyl-pent-4-enyl] ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC=O)CC(C(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4/c1-8(2)11(5-6-13)7-12(9(3)14)16-10(4)15/h6,11-12H,1,5,7H2,2-4H3/t11-,12-/m0/s1