[(3R,4R)-2,4-dimethyl-5-oxidanylidene-hept-1-en-3-yl] propanoate

Systemtic Name: [(3R,4R)-2,4-dimethyl-5-oxidanylidene-hept-1-en-3-yl] propanoate Openeye Name: [(1R,2R)-1-isopropenyl-2-methyl-3-oxo-pentyl] propanoate CAS Name: propanoic acid [(3R,4R)-2,4-dimethyl-5-oxohept-1-en-3-yl] ester IUPAC Name: [(3R,4R)-2,4-dimethyl-5-oxohept-1-en-3-yl] propanoate Traditional Name: propionic acid [(1R)-1-[(1R)-2-keto-1-methyl-butyl]-2-methyl-allyl] ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-6-10(13)9(5)12(8(3)4)15-11(14)7-2/h9,12H,3,6-7H2,1-2,4-5H3/t9-,12-/m0/s1