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tricalcium ethoxy-[oxidanyl(phosphonato)methyl]phosphinate

tricalcium ethoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name:tricalcium ethoxy-[oxidanyl(phosphonato)methyl]phosphinate
Openeye Name:tricalcium ethoxy-[hydroxy(phosphonato)methyl]phosphinate
CAS Name:tricalcium ethoxy-[hydroxy(phosphonato)methyl]phosphinate
IUPAC Name:tricalcium ethoxy-[hydroxy(phosphonato)methyl]phosphinate
Traditional Name:tricalcium ethoxy-[hydroxy(phosphonato)methyl]phosphinate
Formula: C6H14Ca3O14P4
MolecularWeight: 554.296004
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C3H10O7P2.3Ca/c2*1-2-10-12(8,9)3(4)11(5,6)7;;;/h2*3-4H,2H2,1H3,(H,8,9)(H2,5,6,7);;;/q;;3*+2/p-6


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