Molecule ID: 146170896

IUPAC Name: (2S,4Z)-2-benzyl-4-benzylidene-5-oxo-1,3-dioxolane-2-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of phenguignardic acid, obtained from the derotonation of the carboxy group. Major species at pH 7.3. It is a conjugate base of a phenguignardic acid.

SMILES: O=C1O[C@@](Cc2ccccc2)(C(=O)[O-])O/C1=C\c1ccccc1

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

InChI: InChI=1S/C18H14O5/c19-16-15(11-13-7-3-1-4-8-13)22-18(23-16,17(20)21)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)/p-1/b15-11-/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 75.7 Ų
- LogP: 4.3