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

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
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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


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