calcium 2-(3-methanoyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)ethanoate

Systemtic Name: calcium 2-(3-methanoyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)ethanoate Openeye Name: calcium 2-(3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetate CAS Name: calcium 2-(3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetate IUPAC Name: calcium 2-(3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetate Traditional Name: calcium 2-(5-carbomethoxy-3-formyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetate Formula: C22H26CaO12 MolecularWeight: 522.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=CO1)C(=O)OC)CC(=O)[O-])C=O.CC1C(C(C(=CO1)C(=O)OC)CC(=O)[O-])C=O.[Ca+2]

Isomeric SMILES

CC1C(C(C(=CO1)C(=O)OC)CC(=O)[O-])C=O.CC1C(C(C(=CO1)C(=O)OC)CC(=O)[O-])C=O.[Ca+2]

InChI

InChI=1S/2C11H14O6.Ca/c2*1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2;/h2*4-8H,3H2,1-2H3,(H,13,14);/q;;+2/p-2