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

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

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

Isomeric SMILES

CC(C)CC(=O)OCC[C@@H](/C=C/C=C/C#CC#C/C=C/CO)O

InChI

InChI=1S/C19H24O4/c1-17(2)16-19(22)23-15-13-18(21)12-10-8-6-4-3-5-7-9-11-14-20/h6,8-12,17-18,20-21H,13-16H2,1-2H3/b8-6+,11-9+,12-10+/t18-/m1/s1