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tricalcium decoxy-[oxidanyl(phosphonato)methyl]phosphinate

tricalcium decoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name:tricalcium decoxy-[oxidanyl(phosphonato)methyl]phosphinate
Openeye Name:tricalcium decoxy-[hydroxy(phosphonato)methyl]phosphinate
CAS Name:tricalcium decoxy-[hydroxy(phosphonato)methyl]phosphinate
IUPAC Name:tricalcium decoxy-[hydroxy(phosphonato)methyl]phosphinate
Traditional Name:tricalcium decoxy-[hydroxy(phosphonato)methyl]phosphinate
Formula: C22H46Ca3O14P4
MolecularWeight: 778.721284
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C11H26O7P2.3Ca/c2*1-2-3-4-5-6-7-8-9-10-18-20(16,17)11(12)19(13,14)15;;;/h2*11-12H,2-10H2,1H3,(H,16,17)(H2,13,14,15);;;/q;;3*+2/p-6


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