Molecule ID: 441373

IUPAC Name: disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate

Description: The molecule is an organic sodium salt that is 2,7-dibromo-4-hydroxymercurifluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions. It has a role as an antiseptic drug, a fluorochrome and a histological dye. It contains a 2,7-dibromo-4-hydroxymercurifluorescein(2-).

SMILES: O.[Hg].[Na+].[Na+].[O]c1cc2c(cc1Br)C(c1ccccc1C(=O)[O-])=C1C=C(Br)C([O-])=C=C1O2

SELFIES: [O].[Hg].[Na+1].[Na+1].[OH0][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=C][Branch1][C][Br][C][Branch1][C][O-1][=C][=C][Ring1][Branch2][O][Ring2][Ring1][Branch2]

InChI: InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;;2*+1;/p-2

Molecular Properties:
- Polar Surface Area: 90.5 Ų
- LogP: nan