tricalcium methoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tricalcium methoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tricalcium [hydroxy(phosphonato)methyl]-methoxy-phosphinate CAS Name: tricalcium [hydroxy(phosphonato)methyl]-methoxyphosphinate IUPAC Name: tricalcium [hydroxy(phosphonato)methyl]-methoxyphosphinate Traditional Name: tricalcium [hydroxy(phosphonato)methyl]-methoxy-phosphinate Formula: C4H10Ca3O14P4 MolecularWeight: 526.242844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C2H8O7P2.3Ca/c2*1-9-11(7,8)2(3)10(4,5)6;;;/h2*2-3H,1H3,(H,7,8)(H2,4,5,6);;;/q;;3*+2/p-6