Molecule ID: 6915910

IUPAC Name: trisodium;iron(3+);5-nitroso-6-oxidonaphthalene-2-sulfonate

Description: The molecule is an organic sodium salt composed of iron(3+), sodium and 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate ions in a 1:1:3 ratio. Used to stain collagen and animal tissue. It has a role as a histological dye. It is an organic sodium salt and an iron coordination entity. It contains a 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate.

SMILES: O=Nc1c([O-])ccc2cc(S(=O)(=O)[O-])ccc12.O=Nc1c([O-])ccc2cc(S(=O)(=O)[O-])ccc12.O=Nc1c([O-])ccc2cc(S(=O)(=O)[O-])ccc12.[Fe+3].[Na+].[Na+].[Na+]

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].[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].[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].[Fe+3].[Na+1].[Na+1].[Na+1]

InChI: InChI=1S/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,12H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6

Molecular Properties:
- Polar Surface Area: 354.0 Ų
- LogP: nan