Molecule ID: 119058148

IUPAC Name: (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3. It is a conjugate base of a (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid.

SMILES: O=C([O-])c1cccc2c1N=C1CC=C[C@@H](C(=O)[O-])[C@@H]1N2

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

InChI: InChI=1S/C14H12N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-5,8,12,15H,6H2,(H,17,18)(H,19,20)/p-2/t8-,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 2.3