Molecule ID: 6441679

IUPAC Name: (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoic acid

Description: The molecule is a long-chain, divinyl ether fatty acid composed of 8-nonenoic acid in which the E-hydrogen at position 9 is substituted by a (1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy group. It is a straight-chain fatty acid, a long-chain fatty acid and a divinyl ether fatty acid. It is a conjugate acid of a colnelenate.

SMILES: CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][=C][\O][/C][=C][/C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 5.2