methyl (6Z,9S,10E,12Z)-9-oxidanylhexadeca-6,10,12-trienoate

Systemtic Name: methyl (6Z,9S,10E,12Z)-9-oxidanylhexadeca-6,10,12-trienoate Openeye Name: methyl (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12-trienoate CAS Name: (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12-trienoic acid methyl ester IUPAC Name: methyl (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12-trienoate Traditional Name: (6Z,9S,10E,12Z)-9-hydroxyhexadeca-6,10,12-trienoic acid methyl ester Formula: C17H28O3 MolecularWeight: 280.40242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C=C\C=C\[C@H](C/C=C\CCCCC(=O)OC)O

InChI

InChI=1S/C17H28O3/c1-3-4-5-7-10-13-16(18)14-11-8-6-9-12-15-17(19)20-2/h5,7-8,10-11,13,16,18H,3-4,6,9,12,14-15H2,1-2H3/b7-5-,11-8-,13-10+/t16-/m1/s1