Molecule ID: 165026

IUPAC Name: 7-hydroxy-8-(naphthalen-1-yldiazenyl)naphthalene-1,3-disulfonic acid

Description: The molecule is a naphthalenesulfonic acid that is naphthalene-1,3-disulfonic acid carrying additional hydroxy and (naphthalen-1-yl)diazenylsubstituents at positions 7 and 8 respectively. The disodium salt is the biological stain 'acid red 44'. It is an azo compound, a naphthalenesulfonic acid and a member of naphthols. It is a conjugate acid of a 7-hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate.

SMILES: O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3cccc4ccccc34)c(O)ccc2c1

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

InChI: InChI=1S/C20H14N2O7S2/c23-17-9-8-13-10-14(30(24,25)26)11-18(31(27,28)29)19(13)20(17)22-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23H,(H,24,25,26)(H,27,28,29)

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: 3.3