tricalcium (2-chloranylphenoxy)-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tricalcium (2-chloranylphenoxy)-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tricalcium (2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tricalcium (2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tricalcium (2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tricalcium (2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate Formula: C14H12Ca3Cl2O14P4 MolecularWeight: 719.271724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-])Cl.C1=CC=C(C(=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-])Cl.[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C1=CC=C(C(=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-])Cl.C1=CC=C(C(=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-])Cl.[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C7H9ClO7P2.3Ca/c2*8-5-3-1-2-4-6(5)15-17(13,14)7(9)16(10,11)12;;;/h2*1-4,7,9H,(H,13,14)(H2,10,11,12);;;/q;;3*+2/p-6