disodium [2,7-bis(bromanyl)-9-(2-carboxylatophenyl)-3-oxidanidyl-6-oxidanylidene-xanthen-4-yl]mercury tetrahydrate

Systemtic Name: disodium [2,7-bis(bromanyl)-9-(2-carboxylatophenyl)-3-oxidanidyl-6-oxidanylidene-xanthen-4-yl]mercury tetrahydrate Openeye Name: disodium [2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxo-xanthen-4-yl]mercury tetrahydrate CAS Name: disodium [2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxo-4-xanthenyl]mercury tetrahydrate IUPAC Name: disodium [2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury tetrahydrate Traditional Name: disodium [2,7-dibromo-9-(2-carboxylatophenyl)-6-keto-3-oxido-xanthen-4-yl]mercury tetrahydrate Formula: C20H15Br2HgNa2O9 MolecularWeight: 805.70524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)[O-])[Hg])Br)C(=O)[O-].O.O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)[O-])[Hg])Br)C(=O)[O-].O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/C20H9Br2O5.Hg.2Na.4H2O/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);;;;4*1H2/q;;2*+1;;;;/p-2