disodium [2,7-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-9-(2-sulfophenyl)xanthen-4-yl]mercury hydrate

Systemtic Name: disodium [2,7-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-9-(2-sulfophenyl)xanthen-4-yl]mercury hydrate Openeye Name: disodium [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfophenyl)xanthen-4-yl]mercury hydrate CAS Name: disodium [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfophenyl)-4-xanthenyl]mercury hydrate IUPAC Name: disodium [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfophenyl)xanthen-4-yl]mercury hydrate Traditional Name: disodium [3-hydroxy-2,7-diiodo-6-keto-9-(2-sulfophenyl)xanthen-4-yl]mercury hydrate Formula: C19H11HgI2Na2O7S+2 MolecularWeight: 883.72992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H9I2O6S.Hg.2Na.H2O/c20-12-5-10-16(7-14(12)22)27-17-8-15(23)13(21)6-11(17)19(10)9-3-1-2-4-18(9)28(24,25)26;;;;/h1-7,23H,(H,24,25,26);;;;1H2/q;;2*+1;