Molecule ID: 56927813

IUPAC Name: 2-[(2-sulfonatophenyl)diazenyl]benzenesulfonate

Description: The molecule is the arenesulfonate that is the dianion formed by proton loss from each of the sulfo groups in 2,2'-disulfoazobenzene; major microspecies at pH 7.3. It is a conjugate base of a 2,2'-disulfoazobenzene.

SMILES: O=S(=O)([O-])c1ccccc1N=Nc1ccccc1S(=O)(=O)[O-]

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C12H10N2O6S2/c15-21(16,17)11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)22(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)/p-2

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 1.0