[(4E,6Z,12E)-1-acetyloxy-14-oxidanyl-tetradeca-4,6,12-trien-8,10-diyn-3-yl] 2-methylbutanoate

Systemtic Name: [(4E,6Z,12E)-1-acetyloxy-14-oxidanyl-tetradeca-4,6,12-trien-8,10-diyn-3-yl] 2-methylbutanoate Openeye Name: [(2E,4Z,10E)-1-(2-acetoxyethyl)-12-hydroxy-dodeca-2,4,10-trien-6,8-diynyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(4E,6Z,12E)-1-acetyloxy-14-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] ester IUPAC Name: [(4E,6Z,12E)-1-acetyloxy-14-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(2E,4Z,10E)-1-(2-acetoxyethyl)-12-hydroxy-dodeca-2,4,10-trien-6,8-diynyl] ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC(CCOC(=O)C)C=CC=CC#CC#CC=CCO

Isomeric SMILES

CCC(C)C(=O)OC(CCOC(=O)C)/C=C/C=C\C#CC#C/C=C/CO

InChI

InChI=1S/C21H26O5/c1-4-18(2)21(24)26-20(15-17-25-19(3)23)14-12-10-8-6-5-7-9-11-13-16-22/h8,10-14,18,20,22H,4,15-17H2,1-3H3/b10-8-,13-11+,14-12+