methyl (1R,2S)-1-ethynyl-2-[(3E)-hexa-3,5-dienyl]-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S)-1-ethynyl-2-[(3E)-hexa-3,5-dienyl]-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-1-ethynyl-2-[(3E)-hexa-3,5-dienyl]-4-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-1-ethynyl-2-[(3E)-hexa-3,5-dienyl]-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-1-ethynyl-2-[(3E)-hexa-3,5-dienyl]-4-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-1-ethynyl-2-[(3E)-hexa-3,5-dienyl]-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)CC1CCC=CC=C)C#C

Isomeric SMILES

COC(=O)[C@@]1(CCC(=O)C[C@@H]1CC/C=C/C=C)C#C

InChI

InChI=1S/C16H20O3/c1-4-6-7-8-9-13-12-14(17)10-11-16(13,5-2)15(18)19-3/h2,4,6-7,13H,1,8-12H2,3H3/b7-6+/t13-,16+/m0/s1