Molecule ID: 126843511

IUPAC Name: 2-[3-oxo-2-[(Z)-4-sulfonatooxypent-2-enyl]cyclopentyl]acetate

Description: The molecule is a 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfate groups of 11-sulfojasmonic acid. Major species at pH 7.3 It is a 5-oxo monocarboxylic acid anion and an organosulfate oxoanion.

SMILES: CC(/C=C\CC1C(=O)CCC1CC(=O)[O-])OS(=O)(=O)[O-]

SELFIES: [C][C][Branch2][Ring1][Ring2][/C][=C][\C][C][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C12H18O7S/c1-8(19-20(16,17)18)3-2-4-10-9(7-12(14)15)5-6-11(10)13/h2-3,8-10H,4-7H2,1H3,(H,14,15)(H,16,17,18)/p-2/b3-2-

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 0.5