68454
  -OEChem-04262407102D

 19 18  0     0  0  0  0  0  0999 V2000
    5.4641    2.5000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  8   1   1   2  -1   3  -1   4  -1   7  -1   9   1  10   1  11   1
M  END
> <PUBCHEM_COMPOUND_CID>
68454

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
292

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjOAAAQAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAEAAAACAyBkAAwxoAQQACBACRCQwCCAAAgIgAgiAAFbIoKJiKA0dOAMABkwFEIyAewQAAAAEAAAAQAEAAAgAAACAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;2,4,6-trinitrophenolate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;2,4,6-trinitrophenolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;2,4,6-trinitrophenolate

> <PUBCHEM_IUPAC_NAME>
potassium;2,4,6-trinitrophenolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;2,4,6-trinitrophenolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;picrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H3N3O7.K/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
RBGOCSKFMWMTRZ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
266.95298090

> <PUBCHEM_MOLECULAR_FORMULA>
C6H2KN3O7

> <PUBCHEM_MOLECULAR_WEIGHT>
267.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
161

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.95298090

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
12  15  8
12  16  8
13  15  8
13  17  8
14  16  8
14  17  8

$$$$