8671
  -OEChem-06191319162D

 36 40  0     0  0  0  0  0  0999 V2000
    7.4070    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382   -1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0820    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0820   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1310   -1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1310    1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510    1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177    0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2  5  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5 24  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  2  0  0  0  0
 10 13  1  0  0  0  0
 10 18  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8671

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pentacene

> <PUBCHEM_IUPAC_CAS_NAME>
pentacene

> <PUBCHEM_IUPAC_NAME>
pentacene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pentacene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pentacene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H

> <PUBCHEM_IUPAC_INCHIKEY>
SLIUAWYAILUBJU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.7

> <PUBCHEM_EXACT_MASS>
278.10955

> <PUBCHEM_MOLECULAR_FORMULA>
C22H14

> <PUBCHEM_MOLECULAR_WEIGHT>
278.34656

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.10955

> <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>
1  12  8
1  2  8
1  6  8
10  13  8
10  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  20  8
2  11  8
2  5  8
21  22  8
3  14  8
3  4  8
3  6  8
4  13  8
4  5  8
7  12  8
7  15  8
7  8  8
8  11  8
8  16  8
9  10  8
9  14  8
9  17  8

$$$$