Marvin  09010516502D          

 26 32  0  0  0  0            999 V2000
    8.9752  -16.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875  -15.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9752  -15.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875  -14.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2133  -14.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6256  -15.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2133  -15.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6256  -16.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5220  -15.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2133  -17.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6256  -17.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2133  -18.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875  -18.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9752  -17.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875  -17.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786  -17.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3642  -16.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6497  -16.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6497  -17.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3642  -18.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786  -16.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2365  -15.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5220  -16.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2365  -16.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510  -16.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510  -15.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 16 21  2  0  0  0  0
 22  9  2  0  0  0  0
 22 26  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 23  8  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <ID>
CHEBI:33095

> <NAME>
rubicene

> <STAR>
3

> <IUPAC_NAME>
rubicene

> <FORMULA>
C26H14

> <MASS>
326.38936

> <MONOISOTOPIC_MASS>
326.10955

> <CHARGE>
0

> <SMILES>
c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c45

> <INCHI>
InChI=1S/C26H14/c1-3-9-17-15(7-1)19-11-5-13-22-24-18-10-4-2-8-16(18)20-12-6-14-21(26(20)24)23(17)25(19)22/h1-14H

> <INCHIKEY>
FMKFBRKHHLWKDB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1914846

> <CAS_REGISTRY_NUMBER>
197-61-5

> <CHEMIDPLUS>
197-61-5

> <NIST_CHEMISTRY_WEBBOOK>
197-61-5

$$$$