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

Systemtic Name: 2-[(1R,2S)-2-(2-methylpropoxy)-3-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(1R,2S)-2-isobutoxy-3-oxo-cyclohexyl]acetic acid CAS Name: 2-[(1R,2S)-2-(2-methylpropoxy)-3-oxocyclohexyl]acetic acid IUPAC Name: 2-[(1R,2S)-2-(2-methylpropoxy)-3-oxocyclohexyl]acetic acid Traditional Name: 2-[(1R,2S)-2-isobutoxy-3-keto-cyclohexyl]acetic acid Formula: C12H20O4 MolecularWeight: 228.2848

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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)/t9-,12+/m1/s1