Molecule ID: 54730541

IUPAC Name: (1Z,3E)-1-(2-aminophenyl)-6-hydroxy-5,6-dioxohexa-1,3-dien-1-olate

Description: The molecule is a 6-oxo monocarboxylic acid anion which is obtained by removal of a proton from the carboxylic acid group of (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid. It is a 6-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid.

SMILES: Nc1ccccc1/C([O-])=C/C=C/C(=O)C(=O)O

SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][O-1][=C][/C][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H11NO4/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,14H,13H2,(H,16,17)/p-1/b7-3+,10-6-

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 2.4