Molecule ID: 4437226

IUPAC Name: 5-nitroso-6-oxidonaphthalene-2-sulfonate

Description: The molecule is an organosulfonate oxoanion obtained by deprotonation of the sulfo and hydroxyimino groups of 5-(hydroxyimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid. It is a conjugate base of a 5-(hydroxyimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid.

SMILES: O=Nc1c([O-])ccc2cc(S(=O)(=O)[O-])ccc12

SELFIES: [O][=N][C][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=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)/p-2

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.5