Molecule ID: 11966252

IUPAC Name: (Z)-2,5-dichloro-4-oxohex-2-enedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid that is hexanedioic acid containing a double bond between positions 2 and 3, an oxo group at position 4, and two chlorine atoms (at positions 2 and 5). It is an oxo dicarboxylic acid, an alpha,omega-dicarboxylic acid and an organochlorine compound. It derives from a 4-oxohex-2-enedioic acid. It is a conjugate acid of a 2,5-dichloro-4-oxohex-2-enedioate(2-).

SMILES: O=C(O)/C(Cl)=C/C(=O)C(Cl)C(=O)O

SELFIES: [O][=C][Branch1][C][O][/C][Branch1][C][Cl][=C][/C][=Branch1][C][=O][C][Branch1][C][Cl][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1-

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: 1.0