disodium (4-carboxylato-5-oxidanidyl-2-oxidanyl-5-oxidanylidene-4-phenyl-pentyl)mercury hydrate

Systemtic Name: disodium (4-carboxylato-5-oxidanidyl-2-oxidanyl-5-oxidanylidene-4-phenyl-pentyl)mercury hydrate Openeye Name: disodium (4-carboxylato-2-hydroxy-5-oxido-5-oxo-4-phenyl-pentyl)mercury hydrate CAS Name: disodium (4-carboxylato-2-hydroxy-5-oxido-5-oxo-4-phenylpentyl)mercury hydrate IUPAC Name: disodium (4-carboxylato-2-hydroxy-5-oxido-5-oxo-4-phenylpentyl)mercury hydrate Traditional Name: disodium (4-carboxylato-2-hydroxy-5-keto-5-oxido-4-phenyl-pentyl)mercury hydrate Formula: C12H13HgNa2O6 MolecularWeight: 499.79756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(C[Hg])O)(C(=O)[O-])C(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(C[Hg])O)(C(=O)[O-])C(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C12H13O5.Hg.2Na.H2O/c1-8(13)7-12(10(14)15,11(16)17)9-5-3-2-4-6-9;;;;/h2-6,8,13H,1,7H2,(H,14,15)(H,16,17);;;;1H2/q;;2*+1;/p-2