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

Systemtic Name: methyl (1R,2S)-2-but-3-enyl-1-methyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-2-but-3-enyl-1-methyl-6-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-2-but-3-enyl-1-methyl-6-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-but-3-enyl-1-methyl-6-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-but-3-enyl-6-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1=O)CCC=C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-4-5-7-10-8-6-9-11(14)13(10,2)12(15)16-3/h4,10H,1,5-9H2,2-3H3/t10-,13-/m1/s1