Marvin  10140513392D          

 22 26  0  0  0  0            999 V2000
    1.6524   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380   -1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2235   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2235   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6524   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669   -1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958   -1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9393   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538   -1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3682   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3682   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9393   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2248   -1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2248   -0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 14 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 14  1  0  0  0  0
 21 15  2  0  0  0  0
 20 22  2  0  0  0  0
 22 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <ID>
CHEBI:33148

> <NAME>
pentacene

> <DEFINITION>
An acene that consists of five ortho-fused benzene rings in a rectilinear arrangement.

> <STAR>
3

> <SYNONYM>
benzo[b]naphthacene; 2,3:6,7-dibenzanthracene

> <IUPAC_NAME>
pentacene

> <FORMULA>
C22H14

> <MASS>
278.34656

> <MONOISOTOPIC_MASS>
278.10955

> <CHARGE>
0

> <SMILES>
c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1

> <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

> <INCHIKEY>
SLIUAWYAILUBJU-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1912418

> <CAS_REGISTRY_NUMBER>
135-48-8

> <GMELIN_REGISTRY_NUMBER>
733903

> <REAXYS_REGISTRY_NUMBER>
1912418

> <CHEMIDPLUS>
135-48-8

> <NIST_CHEMISTRY_WEBBOOK>
135-48-8

> <WIKIPEDIA_ACCESSION>
Pentacene

> <PUBMED_CITATION>
20699485

$$$$