sodium; 2-(hydroxymethyl)-5-oxidanyl-pyran-4-one; oxidanylidenevanadium(2+); chloride; hydrochloride

Systemtic Name: sodium; 2-(hydroxymethyl)-5-oxidanyl-pyran-4-one; oxidanylidenevanadium(2+); chloride; hydrochloride Openeye Name: sodium; 5-hydroxy-2-(hydroxymethyl)pyran-4-one; oxovanadium(2+); chloride; hydrochloride CAS Name: sodium; 5-hydroxy-2-(hydroxymethyl)-4-pyranone; oxovanadium(2+); chloride; hydrochloride IUPAC Name: sodium; 5-hydroxy-2-(hydroxymethyl)pyran-4-one; oxovanadium(2+); chloride; hydrochloride Traditional Name: sodium; 5-hydroxy-2-methylol-pyran-4-one; ketovanadium(2+); chloride; hydrochloride Formula: C12H13Cl2NaO9V+2 MolecularWeight: 446.06349

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C(C1=O)O)CO.C1=C(OC=C(C1=O)O)CO.O=[V+2].[Na+].Cl.[Cl-]

Isomeric SMILES

C1=C(OC=C(C1=O)O)CO.C1=C(OC=C(C1=O)O)CO.O=[V+2].[Na+].Cl.[Cl-]

InChI

InChI=1S/2C6H6O4.2ClH.Na.O.V/c2*7-2-4-1-5(8)6(9)3-10-4;;;;;/h2*1,3,7,9H,2H2;2*1H;;;/q;;;;+1;;+2/p-1