3080704
  -OEChem-05241316142D

 36 37  0     0  0  0  0  0  0999 V2000
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    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
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -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
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 30  1  0  0  0  0
  2 17  1  0  0  0  0
  2 29  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  7 30  2  0  0  0  0
  8 29  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  2  0  0  0  0
 22 28  1  0  0  0  0
 23 32  1  0  0  0  0
 24 31  1  0  0  0  0
 25 27  2  0  0  0  0
 25 34  1  0  0  0  0
 26 28  2  0  0  0  0
 26 33  1  0  0  0  0
 27 36  1  0  0  0  0
 28 35  1  0  0  0  0
 29 30  1  0  0  0  0
M  CHG  8   3  -1   4  -1   9  -1  10  -1  13   1  14   1  15   1  16   1
M  END
> <PUBCHEM_COMPOUND_CID>
3080704

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
673

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzvAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAEAAAACAyBkAAwzoAQRACJACTSSwKCCAAgIgAoiABHbIoPJiKE8d+DOiDkwFEK6AewQAAAAEAAAAQAEAAAgAAACAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(2,4-dinitrophenyl) oxalate

> <PUBCHEM_IUPAC_CAS_NAME>
oxalic acid bis(2,4-dinitrophenyl) ester

> <PUBCHEM_IUPAC_NAME>
bis(2,4-dinitrophenyl) oxalate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(2,4-dinitrophenyl) ethanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxalic acid bis(2,4-dinitrophenyl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H6N4O12/c19-13(29-11-3-1-7(15(21)22)5-9(11)17(25)26)14(20)30-12-4-2-8(16(23)24)6-10(12)18(27)28/h1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
CBZOGAWUNMFXFQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
421.998222

> <PUBCHEM_MOLECULAR_FORMULA>
C14H6N4O12

> <PUBCHEM_MOLECULAR_WEIGHT>
422.21704

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
236

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
421.998222

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  19  8
17  26  8
18  20  8
18  25  8
19  24  8
20  23  8
21  23  8
21  27  8
22  24  8
22  28  8
25  27  8
26  28  8

$$$$