Molecule ID: 11490

IUPAC Name: 3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid

Description: The molecule is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at the para position by an anilino group, while the other is substituted at a meta position by a sulfo group. The monosodium salt is the biological stain 'metanil yellow'. It is an arenesulfonic acid, a member of azobenzenes, a secondary amino compound and an aromatic amine. It is a conjugate acid of a 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate.

SMILES: O=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1

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

InChI: InChI=1S/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)

Molecular Properties:
- Polar Surface Area: 99.5 Ų
- LogP: 4.0