calcium; 3,3-dimethyl-6-oxidanylidene-2H-pyran-4,5-dicarboxylic acid

Systemtic Name: calcium; 3,3-dimethyl-6-oxidanylidene-2H-pyran-4,5-dicarboxylic acid Openeye Name: calcium; 3,3-dimethyl-6-oxo-2H-pyran-4,5-dicarboxylic acid CAS Name: calcium; 3,3-dimethyl-6-oxo-2H-pyran-4,5-dicarboxylic acid IUPAC Name: calcium; 3,3-dimethyl-6-oxo-2H-pyran-4,5-dicarboxylic acid Traditional Name: calcium; 6-keto-3,3-dimethyl-2H-pyran-4,5-dicarboxylic acid Formula: C9H10CaO6 MolecularWeight: 254.2501

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C(=C1C(=O)O)C(=O)O)C.[Ca]

Isomeric SMILES

CC1(COC(=O)C(=C1C(=O)O)C(=O)O)C.[Ca]

InChI

InChI=1S/C9H10O6.Ca/c1-9(2)3-15-8(14)4(6(10)11)5(9)7(12)13;/h3H2,1-2H3,(H,10,11)(H,12,13);