ethyl (9E,12E)-octadeca-9,12-dienoate; pyran-4-one

Systemtic Name: ethyl (9E,12E)-octadeca-9,12-dienoate; pyran-4-one Openeye Name: ethyl (9E,12E)-octadeca-9,12-dienoate; pyran-4-one CAS Name: (9E,12E)-octadeca-9,12-dienoic acid ethyl ester; 4-pyranone IUPAC Name: ethyl (9E,12E)-octadeca-9,12-dienoate; pyran-4-one Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid ethyl ester; pyran-4-one Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC.C1=COC=CC1=O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC.C1=COC=CC1=O

InChI

InChI=1S/C20H36O2.C5H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;6-5-1-3-7-4-2-5/h8-9,11-12H,3-7,10,13-19H2,1-2H3;1-4H/b9-8+,12-11+;