Molecule ID: 90657146

IUPAC Name: 16-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyhexadecanoic acid

Description: The molecule is a carboxylic ester resulting from the formal condensation of the carboxy group of trans-sinapic acid with the hydroxy group of 16-hydroxyhexadecanoic acid. It is a monocarboxylic acid and a carboxylic ester. It derives from a trans-sinapic acid. It is a conjugate acid of a 16-sinapoyloxypalmitate.

SMILES: COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)cc(OC)c1O

SELFIES: [C][O][C][=C][C][Branch2][Ring1][N][/C][=C][/C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O]

InChI: InChI=1S/C27H42O7/c1-32-23-20-22(21-24(33-2)27(23)31)17-18-26(30)34-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-25(28)29/h17-18,20-21,31H,3-16,19H2,1-2H3,(H,28,29)/b18-17+

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 7.8