Molecule ID: 4138313

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

Description: The molecule is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid. It is a conjugate base of a 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid.

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

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 3.9