dicalcium diphosphonatomethanol

Systemtic Name: dicalcium diphosphonatomethanol Openeye Name: dicalcium diphosphonatomethanol CAS Name: dicalcium diphosphonatomethanol IUPAC Name: dicalcium diphosphonatomethanol Traditional Name: dicalcium diphosphonatomethanol Formula: CH2Ca2O7P2 MolecularWeight: 268.125902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/CH6O7P2.2Ca/c2-1(9(3,4)5)10(6,7)8;;/h1-2H,(H2,3,4,5)(H2,6,7,8);;/q;2*+2/p-4