Molecule ID: 5280608

IUPAC Name: (2E,4Z)-3-chlorohexa-2,4-dienedioic acid

Description: The molecule is a 3-chloromuconic acid that is cis,cis-muconic acid substituted by a chloro substituent at position 3. It derives from a cis,cis-muconic acid. It is a conjugate acid of a 3-chloro-cis,cis-muconate(2-).

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

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

InChI: InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.6