62657
 OpenBabel05082101102D

  8  4  0  0  0  0  0  0  0  0999 V2000
    5.4641   -0.4330    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 O   0  5  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
    4.2320   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
M  CHG  6   1   1   2   1   3   1   5  -1   6  -1   7  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
62657

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
36.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAIAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
tripotassium;phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
tripotassium;phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
tripotassium;phosphate

>  <PUBCHEM_IUPAC_NAME>
tripotassium;phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tripotassium;phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tripotassium;phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3

>  <PUBCHEM_IUPAC_INCHIKEY>
LWIHDJKSTIGBAC-UHFFFAOYSA-K

>  <PUBCHEM_EXACT_MASS>
211.84454

>  <PUBCHEM_MOLECULAR_FORMULA>
K3O4P

>  <PUBCHEM_MOLECULAR_WEIGHT>
212.266

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

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

>  <PUBCHEM_CACTVS_TPSA>
86.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
211.84454

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
8

>  <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>
4

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
