methyl (6E,8Z)-5-oxidanylideneicosa-6,8-dien-11,14-diynoate

Systemtic Name: methyl (6E,8Z)-5-oxidanylideneicosa-6,8-dien-11,14-diynoate Openeye Name: methyl (6E,8Z)-5-oxoicosa-6,8-dien-11,14-diynoate CAS Name: (6E,8Z)-5-oxoeicosa-6,8-dien-11,14-diynoic acid methyl ester IUPAC Name: methyl (6E,8Z)-5-oxoicosa-6,8-dien-11,14-diynoate Traditional Name: (6E,8Z)-5-ketoeicosa-6,8-dien-11,14-diynoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC#CCC=CC=CC(=O)CCCC(=O)OC

Isomeric SMILES

CCCCCC#CCC#CC/C=C\C=C\C(=O)CCCC(=O)OC

InChI

InChI=1S/C21H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24-2/h13-15,17H,3-6,9,12,16,18-19H2,1-2H3/b14-13-,17-15+