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

Systemtic Name: 3-[(1R,2S)-2-(2-methylpropoxy)-3-oxidanylidene-cyclohexyl]propanoate Openeye Name: 3-[(1R,2S)-2-isobutoxy-3-oxo-cyclohexyl]propanoate CAS Name: 3-[(1R,2S)-2-(2-methylpropoxy)-3-oxocyclohexyl]propanoate IUPAC Name: 3-[(1R,2S)-2-(2-methylpropoxy)-3-oxocyclohexyl]propanoate Traditional Name: 3-[(1R,2S)-2-isobutoxy-3-keto-cyclohexyl]propionate Formula: C13H21O4- MolecularWeight: 241.30344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O4/c1-9(2)8-17-13-10(6-7-12(15)16)4-3-5-11(13)14/h9-10,13H,3-8H2,1-2H3,(H,15,16)/p-1/t10-,13+/m1/s1