tricalcium chloromethyloxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tricalcium chloromethyloxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tricalcium chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tricalcium chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tricalcium chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tricalcium chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate Formula: C4H8Ca3Cl2O14P4 MolecularWeight: 595.132964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C2H7ClO7P2.3Ca/c2*3-1-10-12(8,9)2(4)11(5,6)7;;;/h2*2,4H,1H2,(H,8,9)(H2,5,6,7);;;/q;;3*+2/p-6