17596
  -OEChem-05062412322D

 28 28  0     0  0  0  0  0  0999 V2000
    7.1858    1.8741    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6504    2.9243    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1983   -2.9243    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2739    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8487    0.2739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0502    2.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985   -2.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628   -1.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1314    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4243    1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4243   -1.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0553    0.8827    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0417    2.1310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8070   -2.1310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7934   -0.8827    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4243    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1314   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4243   -1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9613    1.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2639    1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7303   -0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4072    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184    0.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8874   -1.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5848   -1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  CHG  8   1  -1   2  -1   3  -1   4  -1  13   1  14   1  15   1  16   1
M  END
> <PUBCHEM_COMPOUND_CID>
17596

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
322

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBj/AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAFAAMAAAAAAAAAAQBAAIAQAABAAAAAQAAAAAAAAAEAAAIAACAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,5,7-tetranitro-1,3,5,7-tetrazocane

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,5,7-tetranitro-1,3,5,7-tetrazocane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,5,7-tetranitro-1,3,5,7-tetrazocane

> <PUBCHEM_IUPAC_NAME>
1,3,5,7-tetranitro-1,3,5,7-tetrazocane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,5,7-tetranitro-1,3,5,7-tetrazocane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,5,7-tetranitro-1,3,5,7-tetrazocane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
UZGLIIJVICEWHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
296.04650924

> <PUBCHEM_MOLECULAR_FORMULA>
C4H8N8O8

> <PUBCHEM_MOLECULAR_WEIGHT>
296.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
196

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.04650924

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$