Molecule ID: 3829797

IUPAC Name: 4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate

Description: The molecule is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid. It is a conjugate base of a 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid.

SMILES: O=S(=O)(O)c1cc([O-])c2c([O-])c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][Branch1][C][O-1][=C][C][Branch1][C][O-1][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C16H12N2O8S2/c19-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)18-17-10-4-2-1-3-5-10/h1-8,19-20H,(H,21,22,23)(H,24,25,26)/p-2

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: 2.1