Molecule ID: 124202354

IUPAC Name: (2E,4E,6E,8E)-9-[(3S,6S)-3-hydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (4S)-4,16-dihydroxyretinoic acid. It is a conjugate base of a (4S)-4,16-dihydroxyretinoic acid.

SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])[C@@](C)(CO)CC[C@@H]1O

SELFIES: [C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O-1][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][C][C@@H1][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C20H28O4/c1-14(6-5-7-15(2)12-19(23)24)8-9-17-16(3)18(22)10-11-20(17,4)13-21/h5-9,12,18,21-22H,10-11,13H2,1-4H3,(H,23,24)/p-1/b7-5+,9-8+,14-6+,15-12+/t18-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 3.9