Molecule ID: 145944453

IUPAC Name: 2-chloro-6-[(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl]-4-formyl-5-hydroxy-3-methylphenolate

Description: The molecule is i have included the stereoconfiguration seen in fig. 2 of pmid:30952781 even though I cannot find direct evidence for it. I think it is based on compound 10. Please update the structure according to the evidence you trust.

SMILES: C/C(=C\Cc1c([O-])c(C=O)c(C)c(Cl)c1O)CC/C=C(\C)CC[C@@H]1OC1(C)C

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

InChI: InChI=1S/C23H31ClO4/c1-14(7-6-8-15(2)10-12-19-23(4,5)28-19)9-11-17-21(26)18(13-25)16(3)20(24)22(17)27/h8-9,13,19,26-27H,6-7,10-12H2,1-5H3/p-1/b14-9+,15-8+/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 7.2