methyl (7E,9E,11E)-5-oxidanylicosa-7,9,11-trienoate

Systemtic Name: methyl (7E,9E,11E)-5-oxidanylicosa-7,9,11-trienoate Openeye Name: methyl (7E,9E,11E)-5-hydroxyicosa-7,9,11-trienoate CAS Name: (7E,9E,11E)-5-hydroxyeicosa-7,9,11-trienoic acid methyl ester IUPAC Name: methyl (7E,9E,11E)-5-hydroxyicosa-7,9,11-trienoate Traditional Name: (7E,9E,11E)-5-hydroxyeicosa-7,9,11-trienoic acid methyl ester Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC=CC=CCC(CCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21(23)24-2/h10-15,20,22H,3-9,16-19H2,1-2H3/b11-10+,13-12+,15-14+