2-[(1R,2S)-2-(2-methylpropoxy)-3-oxidanylidene-cyclohexyl]ethanoate

Systemtic Name: 2-[(1R,2S)-2-(2-methylpropoxy)-3-oxidanylidene-cyclohexyl]ethanoate Openeye Name: 2-[(1R,2S)-2-isobutoxy-3-oxo-cyclohexyl]acetate CAS Name: 2-[(1R,2S)-2-(2-methylpropoxy)-3-oxocyclohexyl]acetate IUPAC Name: 2-[(1R,2S)-2-(2-methylpropoxy)-3-oxocyclohexyl]acetate Traditional Name: 2-[(1R,2S)-2-isobutoxy-3-keto-cyclohexyl]acetate Formula: C12H19O4- MolecularWeight: 227.27686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1C(CCCC1=O)CC(=O)[O-]

Isomeric SMILES

CC(C)CO[C@H]1[C@H](CCCC1=O)CC(=O)[O-]

InChI

InChI=1S/C12H20O4/c1-8(2)7-16-12-9(6-11(14)15)4-3-5-10(12)13/h8-9,12H,3-7H2,1-2H3,(H,14,15)/p-1/t9-,12+/m1/s1