tricalcium butoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tricalcium butoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tricalcium butoxy-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tricalcium butoxy-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tricalcium butoxy-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tricalcium butoxy-[hydroxy(phosphonato)methyl]phosphinate Formula: C10H22Ca3O14P4 MolecularWeight: 610.402324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H14O7P2.3Ca/c2*1-2-3-4-12-14(10,11)5(6)13(7,8)9;;;/h2*5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9);;;/q;;3*+2/p-6