methyl (1R,2S,6R)-6-methyl-2-(3-methylbutyl)-5-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,2S,6R)-6-methyl-2-(3-methylbutyl)-5-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,2S,6R)-2-isopentyl-6-methyl-5-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2S,6R)-6-methyl-2-(3-methylbutyl)-5-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,6R)-6-methyl-2-(3-methylbutyl)-5-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1R,2S,6R)-2-isoamyl-5-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C=CC1=O)CCC(C)C)C(=O)OC

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](C=CC1=O)CCC(C)C)C(=O)OC

InChI

InChI=1S/C14H22O3/c1-9(2)5-6-11-7-8-12(15)10(3)13(11)14(16)17-4/h7-11,13H,5-6H2,1-4H3/t10-,11-,13-/m0/s1