Molecule ID: 70678828

IUPAC Name: (6aR,10aR)-2-carboxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-olate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of Delta(9)-tetrahydrocannabinolic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a Delta(9)-tetrahydrocannabinolic acid.

SMILES: CCCCCc1cc2c(c([O-])c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2

SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch1][=N][C][Branch1][C][O-1][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][C][=C][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1]

InChI: InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/p-1/t15-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 7.7