61789
  -OEChem-05042413452D

 19 18  0     0  0  0  0  0  0999 V2000
    6.3536   -1.2635    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    6.3496   -0.2477    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4719   -1.7680    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9641    0.1160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9641   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  8   1   2   2  -1   3  -1   4  -1   6  -1   7  -1  10   1  11   1
M  CHG  1  12   1
M  END
> <PUBCHEM_COMPOUND_CID>
61789

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
317

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjPAAAAAAAAAAAAEAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAEAAAACAyBkAAwxoAQQACBACRCQwCCAAAgIgAgiAAFbIoKJyKA0NOAMABlwFUIyAewYAQAAEAACAQAEAAAgAAQCAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
plumbous;2,4,6-trinitrobenzene-1,3-diolate

> <PUBCHEM_IUPAC_CAS_NAME>
lead(2+);2,4,6-trinitrobenzene-1,3-diolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
lead(2+);2,4,6-trinitrobenzene-1,3-diolate

> <PUBCHEM_IUPAC_NAME>
lead(2+);2,4,6-trinitrobenzene-1,3-diolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lead(2+);2,4,6-trinitrobenzene-1,3-diolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
plumbous;2,4,6-trinitrobenzene-1,3-diolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H3N3O8.Pb/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
WETZJIOEDGMBMA-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
450.95302

> <PUBCHEM_MOLECULAR_FORMULA>
C6HN3O8Pb

> <PUBCHEM_MOLECULAR_WEIGHT>
450

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Pb+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Pb+2]

> <PUBCHEM_CACTVS_TPSA>
184

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
450.95302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
13  16  8
13  17  8
14  17  8
14  18  8
15  16  8
15  18  8

$$$$