calcium 3-ethanoyl-6-methyl-2-oxidanylidene-pyran-4-olate

Systemtic Name: calcium 3-ethanoyl-6-methyl-2-oxidanylidene-pyran-4-olate Openeye Name: calcium 3-acetyl-6-methyl-2-oxo-pyran-4-olate CAS Name: calcium 3-acetyl-6-methyl-2-oxo-4-pyranolate IUPAC Name: calcium 3-acetyl-6-methyl-2-oxopyran-4-olate Traditional Name: calcium 3-acetyl-2-keto-6-methyl-pyran-4-olate Formula: C16H14CaO8 MolecularWeight: 374.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)C(=O)C)[O-].CC1=CC(=C(C(=O)O1)C(=O)C)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=C(C(=O)O1)C(=O)C)[O-].CC1=CC(=C(C(=O)O1)C(=O)C)[O-].[Ca+2]

InChI

InChI=1S/2C8H8O4.Ca/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,10H,1-2H3;/q;;+2/p-2