sodium 3-ethanoyl-6-methyl-2-oxidanylidene-pyran-4-olate hydrate

Systemtic Name: sodium 3-ethanoyl-6-methyl-2-oxidanylidene-pyran-4-olate hydrate Openeye Name: sodium 3-acetyl-6-methyl-2-oxo-pyran-4-olate hydrate CAS Name: sodium 3-acetyl-6-methyl-2-oxo-4-pyranolate hydrate IUPAC Name: sodium 3-acetyl-6-methyl-2-oxopyran-4-olate hydrate Traditional Name: sodium 3-acetyl-2-keto-6-methyl-pyran-4-olate hydrate Formula: C8H9NaO5 MolecularWeight: 208.14383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O4.Na.H2O/c1-4-3-6(10)7(5(2)9)8(11)12-4;;/h3,10H,1-2H3;;1H2/q;+1;/p-1