Molecule ID: 9543223

IUPAC Name: (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioate

Description: The molecule is a polyunsaturated dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid. The major species at pH 7.3. It is a polyunsaturated dicarboxylic acid dianion and an oxo dicarboxylic acid dianion. It is a conjugate base of a (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid.

SMILES: NC(/C=C\C(=O)[O-])=C/C(=O)C(=O)[O-]

SELFIES: [N][C][Branch1][Branch2][/C][=C][\C][=Branch1][C][=O][O-1][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H7NO5/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-3H,8H2,(H,10,11)(H,12,13)/p-2/b2-1-,4-3+

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 1.0