11023554
  -OEChem-05072406502D

 24 24  0     0  0  0  0  0  0999 V2000
    5.4641    2.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  8   1  -1   3  -1   4  -1   7  -1   8  -1  11   1  12   1  13   1
M  CHG  2  14   1  15   1
M  END
> <PUBCHEM_COMPOUND_CID>
11023554

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
483

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjvAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAADAAUAAAACAgBEAAAwIBQQACBAARAQwCCAAAgAAAgiAAAVIoIYCKA0NGAIABggIAIyAcQAAAAAACAAAQAACAAAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,4,5,6-pentanitroaniline

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,4,5,6-pentanitroaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,4,5,6-pentanitroaniline

> <PUBCHEM_IUPAC_NAME>
2,3,4,5,6-pentanitroaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,4,5,6-pentanitroaniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2,3,4,5,6-pentanitrophenyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H2N6O10/c7-1-2(8(13)14)4(10(17)18)6(12(21)22)5(11(19)20)3(1)9(15)16/h7H2

> <PUBCHEM_IUPAC_INCHIKEY>
XJYDCCKHUXCATF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
317.98324028

> <PUBCHEM_MOLECULAR_FORMULA>
C6H2N6O10

> <PUBCHEM_MOLECULAR_WEIGHT>
318.11

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

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

> <PUBCHEM_CACTVS_TPSA>
255

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.98324028

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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

> <PUBCHEM_BONDANNOTATIONS>
17  18  8
17  19  8
18  21  8
19  20  8
20  22  8
21  22  8

$$$$