methyl (1R,2S)-2-but-3-enyl-6-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-but-3-enyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-2-but-3-enyl-6-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-2-but-3-enyl-6-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-but-3-enyl-6-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-but-3-enyl-6-keto-cyclohexanecarboxylic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCCC1=O)CCC=C

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](CCCC1=O)CCC=C

InChI

InChI=1S/C12H18O3/c1-3-4-6-9-7-5-8-10(13)11(9)12(14)15-2/h3,9,11H,1,4-8H2,2H3/t9-,11-/m1/s1