ethyl (1S,6R)-6-heptyl-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl (1S,6R)-6-heptyl-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl (1S,6R)-6-heptyl-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1S,6R)-6-heptyl-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6R)-6-heptyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1S,6R)-6-heptyl-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C17H28O3 MolecularWeight: 280.40242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(=O)C=C(C1C(=O)OCC)C

Isomeric SMILES

CCCCCCC[C@@H]1CC(=O)C=C([C@H]1C(=O)OCC)C

InChI

InChI=1S/C17H28O3/c1-4-6-7-8-9-10-14-12-15(18)11-13(3)16(14)17(19)20-5-2/h11,14,16H,4-10,12H2,1-3H3/t14-,16-/m1/s1