133399
  -OEChem-06191301512D

 34 35  0     0  0  0  0  0  0999 V2000
    6.3301   -0.2500    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -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
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 O   0  0  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
   10.6603   -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
   11.5263   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -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
    8.0622   -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
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    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
    9.7942   -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
    9.7942   -1.2500    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
    8.0622   -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
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    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
   10.3312    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
    7.5252   -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
    8.9282   -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
    9.7942    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  3 26  1  0  0  0  0
  3 34  1  0  0  0  0
  4 25  1  0  0  0  0
  4 33  1  0  0  0  0
  5 26  2  0  0  0  0
  6 25  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 19  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 23  2  0  0  0  0
 21 30  1  0  0  0  0
 22 24  2  0  0  0  0
 22 29  1  0  0  0  0
 23 32  1  0  0  0  0
 24 31  1  0  0  0  0
M  CHG  4   7  -1   8  -1  11   1  12   1
M  END
> <PUBCHEM_COMPOUND_CID>
133399

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
528

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPAAAAAAAIAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgCECAAADAiBmAAwyIAQQgCJAiTSSwCCAAAkAgAoiAEAbMoIJjKAlZGAcQBkwAEI2Ye8yCCOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2-carboxy-4-nitro-phenyl)diselanyl]-5-nitro-benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid

> <PUBCHEM_IUPAC_NAME>
2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2-carboxy-4-nitro-phenyl)diselanyl]-5-nitro-benzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(2-carboxy-4-nitro-phenyl)diselanyl]-5-nitro-benzoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H8N2O8Se2/c17-13(18)9-5-7(15(21)22)1-3-11(9)25-26-12-4-2-8(16(23)24)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
DSWCVZVEOQOMDP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
491.861108

> <PUBCHEM_MOLECULAR_FORMULA>
C14H8N2O8Se2

> <PUBCHEM_MOLECULAR_WEIGHT>
490.14192

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

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

> <PUBCHEM_CACTVS_TPSA>
166

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
491.861108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
13  16  8
13  22  8
14  15  8
14  21  8
15  17  8
16  18  8
17  19  8
18  20  8
19  23  8
20  24  8
21  23  8
22  24  8

$$$$