12635
  -OEChem-05112410572D

 10  9  0     0  0  0  0  0  0999 V2000
    6.3301   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 N   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   -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    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
  1  7  3  0  0  0  0
  2  8  3  0  0  0  0
  3  9  3  0  0  0  0
  4 10  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12635

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
289

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAADAABAAAAAAAAAACQBgBAAAAgAAAAAAAACAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethene-1,1,2,2-tetracarbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
ethene-1,1,2,2-tetracarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethene-1,1,2,2-tetracarbonitrile

> <PUBCHEM_IUPAC_NAME>
ethene-1,1,2,2-tetracarbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethene-1,1,2,2-tetracarbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethene-1,1,2,2-tetracarbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10

> <PUBCHEM_IUPAC_INCHIKEY>
NLDYACGHTUPAQU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.2

> <PUBCHEM_EXACT_MASS>
128.012296017

> <PUBCHEM_MOLECULAR_FORMULA>
C6N4

> <PUBCHEM_MOLECULAR_WEIGHT>
128.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)C(=C(C#N)C#N)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)C(=C(C#N)C#N)C#N

> <PUBCHEM_CACTVS_TPSA>
95.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
128.012296017

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$