Molecule ID: 105671

IUPAC Name: 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid

Description: The molecule is an arenesulfonic acid that is 5,6-dihydronaphthalene-2-sulfonic acid bearing hydroxyimino and oxo substituents at positions 5 and 6 respectively. The trisodium-iron(3+) salt is the biological stain 'naphthol green B'. It is an arenesulfonic acid, a ketoxime and a naphthalenone. It is a conjugate acid of a 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate.

SMILES: O=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12

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

InChI: InChI=1S/C10H7NO5S/c12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13/h1-5,12H,(H,14,15,16)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 1.0