Marvin  03300609092D          

 11  8  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8250   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  9  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  CHG  6   3  -1   4  -1   6  -1   7  -1  10   2  11   2
M  END
> <ID>
CHEBI:32598

> <NAME>
calcium diphosphate

> <STAR>
3

> <SYNONYM>
diphosphoric acid, calcium salt (2:1); calcium pyrophosphate; Ca2P2O7

> <IUPAC_NAME>
calcium diphosphate

> <FORMULA>
Ca2O7P2

> <MASS>
254.09932

> <MONOISOTOPIC_MASS>
253.83711

> <CHARGE>
0

> <SMILES>
[Ca++].[Ca++].[O-]P([O-])(=O)OP([O-])([O-])=O

> <INCHI>
InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4

> <INCHIKEY>
JUNWLZAGQLJVLR-UHFFFAOYSA-J

> <CAS_REGISTRY_NUMBER>
35405-51-7

> <CHEMIDPLUS>
35405-51-7

> <WIKIPEDIA_ACCESSION>
Calcium_phosphate

$$$$