tricalcium [oxidanyl(phosphonato)methyl]-(trichloromethyloxy)phosphinate

Systemtic Name: tricalcium [oxidanyl(phosphonato)methyl]-(trichloromethyloxy)phosphinate Openeye Name: tricalcium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate CAS Name: tricalcium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate IUPAC Name: tricalcium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate Traditional Name: tricalcium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate Formula: C4H4Ca3Cl6O14P4 MolecularWeight: 732.913204

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Descriptors Computed from Structure

Canonical SMILES:

C(O)(P(=O)([O-])[O-])P(=O)([O-])OC(Cl)(Cl)Cl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OC(Cl)(Cl)Cl.[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(O)(P(=O)([O-])[O-])P(=O)([O-])OC(Cl)(Cl)Cl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OC(Cl)(Cl)Cl.[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C2H5Cl3O7P2.3Ca/c2*3-2(4,5)12-14(10,11)1(6)13(7,8)9;;;/h2*1,6H,(H,10,11)(H2,7,8,9);;;/q;;3*+2/p-6