[(2S,3R,4S)-2,4-dimethyl-1-oxidanylidene-hexan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S)-2,4-dimethyl-1-oxidanylidene-hexan-3-yl] ethanoate Openeye Name: [(1R,2S)-2-methyl-1-[(1S)-1-methyl-2-oxo-ethyl]butyl] acetate CAS Name: acetic acid [(2S,3R,4S)-2,4-dimethyl-1-oxohexan-3-yl] ester IUPAC Name: [(2S,3R,4S)-2,4-dimethyl-1-oxohexan-3-yl] acetate Traditional Name: acetic acid [(1R,2S)-1-[(1S)-2-keto-1-methyl-ethyl]-2-methyl-butyl] ester Formula: C10H18O3 MolecularWeight: 186.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O3/c1-5-7(2)10(8(3)6-11)13-9(4)12/h6-8,10H,5H2,1-4H3/t7-,8+,10+/m0/s1