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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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