Molecule ID: 441135

IUPAC Name: 4-[(4-sulfophenyl)diazenyl]benzoic acid

Description: The molecule is a member of the class of azobenzenes that is azobenzene in which the para position of one of the phenyl groups is substituted by a carboxy group, whilst that of the other phenyl group is substituted by a sulfo group. It is a sulfobenzoic acid, a monocarboxylic acid and a member of azobenzenes. It is a conjugate acid of a 4-carboxylato-4'-sulfonatoazobenzene.

SMILES: O=C(O)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]

InChI: InChI=1S/C13H10N2O5S/c16-13(17)9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)21(18,19)20/h1-8H,(H,16,17)(H,18,19,20)

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 2.0