26938
  -OEChem-05211302242D

 19 14  0     0  0  0  0  0  0999 V2000
    6.0981    2.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.7320   -0.3660    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.6340   -2.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3660    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.2320    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   8  -1   9  -1  10  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
26938

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
188

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAOAMAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggACCAAAACAgAACAAAAAhAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrapotassium;1,1-diphosphonatoethanol

> <PUBCHEM_IUPAC_CAS_NAME>
tetrapotassium;1,1-diphosphonatoethanol

> <PUBCHEM_IUPAC_NAME>
tetrapotassium;1,1-diphosphonatoethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrapotassium;1,1-diphosphonatoethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrapotassium;1,1-diphosphonatoethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H8O7P2.4K/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
DHQZXBINJKHIPR-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
357.798052

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4K4O7P2

> <PUBCHEM_MOLECULAR_WEIGHT>
358.389684

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

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

> <PUBCHEM_CACTVS_TPSA>
147

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.798052

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

$$$$