[(4E,6Z,12E)-3,14-bis(oxidanyl)tetradeca-4,6,12-trien-8,10-diynyl] 2-methylbutanoate

Systemtic Name: [(4E,6Z,12E)-3,14-bis(oxidanyl)tetradeca-4,6,12-trien-8,10-diynyl] 2-methylbutanoate Openeye Name: [(4E,6Z,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(4E,6Z,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] ester IUPAC Name: [(4E,6Z,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(4E,6Z,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] ester Formula: C19H24O4 MolecularWeight: 316.39146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCC(C=CC=CC#CC#CC=CCO)O

Isomeric SMILES

CCC(C)C(=O)OCCC(/C=C/C=C\C#CC#C/C=C/CO)O

InChI

InChI=1S/C19H24O4/c1-3-17(2)19(22)23-16-14-18(21)13-11-9-7-5-4-6-8-10-12-15-20/h7,9-13,17-18,20-21H,3,14-16H2,1-2H3/b9-7-,12-10+,13-11+