methyl (2E,6E,12E,14E,16E,18E)-8-oxidanylideneicosa-2,6,12,14,16,18-hexaenoate

Systemtic Name: methyl (2E,6E,12E,14E,16E,18E)-8-oxidanylideneicosa-2,6,12,14,16,18-hexaenoate Openeye Name: methyl (2E,6E,12E,14E,16E,18E)-8-oxoicosa-2,6,12,14,16,18-hexaenoate CAS Name: (2E,6E,12E,14E,16E,18E)-8-oxoeicosa-2,6,12,14,16,18-hexaenoic acid methyl ester IUPAC Name: methyl (2E,6E,12E,14E,16E,18E)-8-oxoicosa-2,6,12,14,16,18-hexaenoate Traditional Name: (2E,6E,12E,14E,16E,18E)-8-ketoeicosa-2,6,12,14,16,18-hexaenoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC=CC=CCCCC(=O)C=CCCC=CC(=O)OC

Isomeric SMILES

C/C=C/C=C/C=C/C=C/CCCC(=O)/C=C/CC/C=C/C(=O)OC

InChI

InChI=1S/C21H28O3/c1-3-4-5-6-7-8-9-10-11-14-17-20(22)18-15-12-13-16-19-21(23)24-2/h3-10,15-16,18-19H,11-14,17H2,1-2H3/b4-3+,6-5+,8-7+,10-9+,18-15+,19-16+