HIT ID: HIT212650008
Cas No: 129-16-8
分子式: C20H8Br2HgNa2O6
分子量: 750.658
常用名: Merbromin
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 3.7976387
IUPAC: disodium [2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3H-xanthen-4-yl]mercurol
IUPAC: disodium [2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3H-xanthen-4-yl]mercurol
SMILES: [Na+].[Na+].O[Hg]c1c2oc3cc([O-])c(Br)cc3c(-c3ccccc3C([O-])=O)c2cc(Br)c1=O
SMILES: [Na+].[Na+].O[Hg]c1c2oc3cc([O-])c(Br)cc3c(-c3ccccc3C([O-])=O)c2cc(Br)c1=O
InChI key: IETXPQQHQVBOOJ-UHFFFAOYSA-K
