sodium 6-carboxy-4-oxidanylidene-pyran-2-carboxylate dihydrate

Systemtic Name: sodium 6-carboxy-4-oxidanylidene-pyran-2-carboxylate dihydrate Openeye Name: sodium 6-carboxy-4-oxo-pyran-2-carboxylate dihydrate CAS Name: sodium 6-carboxy-4-oxo-2-pyrancarboxylate dihydrate IUPAC Name: sodium 6-carboxy-4-oxopyran-2-carboxylate dihydrate Traditional Name: sodium 6-carboxy-4-keto-pyran-2-carboxylate dihydrate Formula: C7H7NaO8 MolecularWeight: 242.11545

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=CC1=O)C(=O)[O-])C(=O)O.O.O.[Na+]

Isomeric SMILES

C1=C(OC(=CC1=O)C(=O)[O-])C(=O)O.O.O.[Na+]

InChI

InChI=1S/C7H4O6.Na.2H2O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;;;/h1-2H,(H,9,10)(H,11,12);;2*1H2/q;+1;;/p-1