tricalcium [chloranyl(phosphonato)methyl]-phenoxy-phosphinate

Systemtic Name: tricalcium [chloranyl(phosphonato)methyl]-phenoxy-phosphinate Openeye Name: tricalcium [chloro(phosphonato)methyl]-phenoxy-phosphinate CAS Name: tricalcium [chloro(phosphonato)methyl]-phenoxyphosphinate IUPAC Name: tricalcium [chloro(phosphonato)methyl]-phenoxyphosphinate Traditional Name: tricalcium [chloro(phosphonato)methyl]-phenoxy-phosphinate Formula: C14H12Ca3Cl2O12P4 MolecularWeight: 687.272924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H9ClO6P2.3Ca/c2*8-7(15(9,10)11)16(12,13)14-6-4-2-1-3-5-6;;;/h2*1-5,7H,(H,12,13)(H2,9,10,11);;;/q;;3*+2/p-6