Molecule ID: 5460312

IUPAC Name: (3R,4R)-3-(1-carboxylatoethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate

Description: The molecule is a polyunsaturated dicarboxylic acid dianion. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a chorismic acid.

SMILES: C=C(O[C@@H]1C=C(C(=O)[O-])C=C[C@H]1O)C(=O)[O-]

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

InChI: InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 1.5