calcium; 2-chloroethylphosphonic acid; 4-(1-oxidanidylpropylidene)-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: calcium; 2-chloroethylphosphonic acid; 4-(1-oxidanidylpropylidene)-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: calcium; 2-chloroethylphosphonic acid; 4-(1-oxidopropylidene)-3,5-dioxo-cyclohexanecarboxylate CAS Name: calcium; 2-chloroethylphosphonic acid; 4-(1-oxidopropylidene)-3,5-dioxo-1-cyclohexanecarboxylate IUPAC Name: calcium; 2-chloroethylphosphonic acid; 4-(1-oxidopropylidene)-3,5-dioxocyclohexane-1-carboxylate Traditional Name: calcium; 2-chloroethylphosphonic acid; 3,5-diketo-4-(1-oxidopropylidene)cyclohexanecarboxylate Formula: C12H16CaClO8P MolecularWeight: 394.755401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O5.C2H6ClO3P.Ca/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;3-1-2-7(4,5)6;/h5,11H,2-4H2,1H3,(H,14,15);1-2H2,(H2,4,5,6);/q;;+2/p-2