sodium 3-ethanoyl-6-methyl-pyran-3-ide-2,4-dione hydrate

Systemtic Name: sodium 3-ethanoyl-6-methyl-pyran-3-ide-2,4-dione hydrate Openeye Name: sodium 3-acetyl-6-methyl-pyran-3-ide-2,4-dione hydrate CAS Name: sodium 3-acetyl-6-methylpyran-3-ide-2,4-dione hydrate IUPAC Name: sodium 3-acetyl-6-methylpyran-3-ide-2,4-dione hydrate Traditional Name: sodium 3-acetyl-6-methyl-pyran-3-ide-2,4-quinone hydrate Formula: C8H9NaO5 MolecularWeight: 208.14383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[C-](C(=O)O1)C(=O)C.O.[Na+]

Isomeric SMILES

CC1=CC(=O)[C-](C(=O)O1)C(=O)C.O.[Na+]

InChI

InChI=1S/C8H7O4.Na.H2O/c1-4-3-6(10)7(5(2)9)8(11)12-4;;/h3H,1-2H3;;1H2/q-1;+1;