ethyl (1R,6S)-6-[(3S)-heptan-3-yl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl (1R,6S)-6-[(3S)-heptan-3-yl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl (1R,6S)-6-[(1S)-1-ethylpentyl]-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1R,6S)-6-[(3S)-heptan-3-yl]-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6S)-6-[(3S)-heptan-3-yl]-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(1S)-1-ethylpentyl]-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:

CCCCC(CC)C1CC(=O)C=C(C1C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3/c1-5-8-9-13(6-2)15-11-14(18)10-12(4)16(15)17(19)20-7-3/h10,13,15-16H,5-9,11H2,1-4H3/t13-,15-,16-/m0/s1