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

Systemtic Name: sodium [2,7-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-9-(2-sulfonatophenyl)xanthen-4-yl]mercury hydrate Openeye Name: sodium [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfonatophenyl)xanthen-4-yl]mercury hydrate CAS Name: sodium [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfonatophenyl)-4-xanthenyl]mercury hydrate IUPAC Name: sodium [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfonatophenyl)xanthen-4-yl]mercury hydrate Traditional Name: sodium [3-hydroxy-2,7-diiodo-6-keto-9-(2-sulfonatophenyl)xanthen-4-yl]mercury hydrate Formula: C19H10HgI2NaO7S MolecularWeight: 859.73221

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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)I)O)[Hg])I)S(=O)(=O)[O-].O.[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+]

InChI

InChI=1S/C19H9I2O6S.Hg.Na.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;;+1;/p-1