methyl (7E,9Z,12Z)-6-oxidanylhexadeca-7,9,12-trienoate

Systemtic Name: methyl (7E,9Z,12Z)-6-oxidanylhexadeca-7,9,12-trienoate Openeye Name: methyl (7E,9Z,12Z)-6-hydroxyhexadeca-7,9,12-trienoate CAS Name: (7E,9Z,12Z)-6-hydroxyhexadeca-7,9,12-trienoic acid methyl ester IUPAC Name: methyl (7E,9Z,12Z)-6-hydroxyhexadeca-7,9,12-trienoate Traditional Name: (7E,9Z,12Z)-6-hydroxyhexadeca-7,9,12-trienoic acid methyl ester Formula: C17H28O3 MolecularWeight: 280.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C=C\C/C=C\C=C\C(CCCCC(=O)OC)O

InChI

InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-10-13-16(18)14-11-12-15-17(19)20-2/h5-6,8-10,13,16,18H,3-4,7,11-12,14-15H2,1-2H3/b6-5-,9-8-,13-10+