24203
 OpenBabel05082101102D

  8  5  0  0  0  0  0  0  0  0999 V2000
    3.4030   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  4   2   1   3   1   5  -1   6  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24203

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
46.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAODIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;hydrogen phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
disodium;hydrogen phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;hydrogen phosphate

>  <PUBCHEM_IUPAC_NAME>
disodium;hydrogen phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;hydrogen phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;hydrogen phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
BNIILDVGGAEEIG-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
141.940784

>  <PUBCHEM_MOLECULAR_FORMULA>
HNa2O4P

>  <PUBCHEM_MOLECULAR_WEIGHT>
141.959

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

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

>  <PUBCHEM_CACTVS_TPSA>
83.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
141.940784

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
