24403
 OpenBabel05082101102D

 13  8  0  0  0  0  0  0  0  0999 V2000
    3.7320   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9641    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  2  0  0  0  0
M  CHG  8   3   1   4   1   5   1   6   1   8  -1   9  -1  10  -1  11  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24403

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
124

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAODMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrasodium;phosphonato phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
tetrasodium;phosphonato phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
tetrasodium;phosphonato phosphate

>  <PUBCHEM_IUPAC_NAME>
tetrasodium;phosphonato phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrasodium;phosphonato phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrasodium;phosphonato phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4

>  <PUBCHEM_IUPAC_INCHIKEY>
FQENQNTWSFEDLI-UHFFFAOYSA-J

>  <PUBCHEM_EXACT_MASS>
265.871003

>  <PUBCHEM_MOLECULAR_FORMULA>
Na4O7P2

>  <PUBCHEM_MOLECULAR_WEIGHT>
265.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

>  <PUBCHEM_CACTVS_TPSA>
136

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.871003

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
5

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
