7627
  -OEChem-04252400222D

 18 17  0     0  0  0  0  0  0999 V2000
    1.4030    3.6200    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.6200    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
7627

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
56.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYJgMAAAAAAAAAAAAQAAAAAAAAAAAAAwAAAAAAAAAAABAAAIGAAACAAACACAEAAwAIAAAACAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dihydrogen borate;phenylmercury(1+)

> <PUBCHEM_IUPAC_CAS_NAME>
dihydrogen borate;phenylmercury(1+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
dihydrogen borate;phenylmercury(1+)

> <PUBCHEM_IUPAC_NAME>
dihydrogen borate;phenylmercury(1+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dihydrogen borate;phenylmercury(1+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dihydrogen borate;phenylmercury(1+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
VUXSPDNLYQTOSY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
340.019468

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7BHgO3

> <PUBCHEM_MOLECULAR_WEIGHT>
338.52

> <PUBCHEM_OPENEYE_CAN_SMILES>
B(O)(O)[O-].C1=CC=C(C=C1)[Hg+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
B(O)(O)[O-].C1=CC=C(C=C1)[Hg+]

> <PUBCHEM_CACTVS_TPSA>
63.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.019468

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  6  8
5  7  8
6  8  8
7  9  8
8  10  8
9  10  8

$$$$