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

Systemtic Name: tricalcium [chloranyl(phosphonato)methyl]-ethenoxy-phosphinate Openeye Name: tricalcium [chloro(phosphonato)methyl]-vinyloxy-phosphinate CAS Name: tricalcium [chloro(phosphonato)methyl]-ethenoxyphosphinate IUPAC Name: tricalcium [chloro(phosphonato)methyl]-ethenoxyphosphinate Traditional Name: tricalcium [chloro(phosphonato)methyl]-vinyloxy-phosphinate Formula: C6H8Ca3Cl2O12P4 MolecularWeight: 587.155564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C3H7ClO6P2.3Ca/c2*1-2-10-12(8,9)3(4)11(5,6)7;;;/h2*2-3H,1H2,(H,8,9)(H2,5,6,7);;;/q;;3*+2/p-6