methyl (3S)-3-[(1S)-1-methyl-2-oxidanylidene-cyclohexyl]butanoate

Systemtic Name: methyl (3S)-3-[(1S)-1-methyl-2-oxidanylidene-cyclohexyl]butanoate Openeye Name: methyl (3S)-3-[(1S)-1-methyl-2-oxo-cyclohexyl]butanoate CAS Name: (3S)-3-[(1S)-1-methyl-2-oxocyclohexyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(1S)-1-methyl-2-oxocyclohexyl]butanoate Traditional Name: (3S)-3-[(1S)-2-keto-1-methyl-cyclohexyl]butyric acid methyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1(CCCCC1=O)C

Isomeric SMILES

C[C@@H](CC(=O)OC)[C@@]1(CCCCC1=O)C

InChI

InChI=1S/C12H20O3/c1-9(8-11(14)15-3)12(2)7-5-4-6-10(12)13/h9H,4-8H2,1-3H3/t9-,12-/m0/s1