calcium 3,5-bis(oxidanylidene)-4-propanoyl-cyclohexane-1-carboxylate

Systemtic Name: calcium 3,5-bis(oxidanylidene)-4-propanoyl-cyclohexane-1-carboxylate Openeye Name: calcium 3,5-dioxo-4-propanoyl-cyclohexanecarboxylate CAS Name: calcium 3,5-dioxo-4-(1-oxopropyl)-1-cyclohexanecarboxylate IUPAC Name: calcium 3,5-dioxo-4-propanoylcyclohexane-1-carboxylate Traditional Name: calcium 3,5-diketo-4-propionyl-cyclohexanecarboxylate Formula: C20H22CaO10 MolecularWeight: 462.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)C(=O)[O-].CCC(=O)C1C(=O)CC(CC1=O)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)C(=O)[O-].CCC(=O)C1C(=O)CC(CC1=O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,9H,2-4H2,1H3,(H,14,15);/q;;+2/p-2