[(2S,4R)-2,4-dimethyl-5-oxidanylidene-pentyl] ethanoate

Systemtic Name: [(2S,4R)-2,4-dimethyl-5-oxidanylidene-pentyl] ethanoate Openeye Name: [(2S,4R)-2,4-dimethyl-5-oxo-pentyl] acetate CAS Name: acetic acid [(2S,4R)-2,4-dimethyl-5-oxopentyl] ester IUPAC Name: [(2S,4R)-2,4-dimethyl-5-oxopentyl] acetate Traditional Name: acetic acid [(2S,4R)-5-keto-2,4-dimethyl-pentyl] ester Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C=O)COC(=O)C

Isomeric SMILES

C[C@@H](C[C@@H](C)C=O)COC(=O)C

InChI

InChI=1S/C9H16O3/c1-7(5-10)4-8(2)6-12-9(3)11/h5,7-8H,4,6H2,1-3H3/t7-,8+/m1/s1