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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c1-18(2)17-21(24)26-20(14-16-25-19(3)23)13-11-9-7-5-4-6-8-10-12-15-22/h7,9-13,18,20,22H,14-17H2,1-3H3/b9-7+,12-10+,13-11+