3,5-bis(oxidanylidene)-4-propanoyl-cyclohexane-1-carboxylic acid; calcium

Systemtic Name: 3,5-bis(oxidanylidene)-4-propanoyl-cyclohexane-1-carboxylic acid; calcium Openeye Name: calcium; 3,5-dioxo-4-propanoyl-cyclohexanecarboxylic acid CAS Name: calcium; 3,5-dioxo-4-(1-oxopropyl)-1-cyclohexanecarboxylic acid IUPAC Name: calcium; 3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acid Traditional Name: calcium; 3,5-diketo-4-propionyl-cyclohexanecarboxylic acid Formula: C10H12CaO5 MolecularWeight: 252.27728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O5.Ca/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h5,9H,2-4H2,1H3,(H,14,15);