Marvin  06050614162D          

 24 29  0  0  0  0            999 V2000
   -3.3438    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0582    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0582   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286    1.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004    1.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    2.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293    2.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293    1.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004    2.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
 12  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  2  0  0  0  0
 14 11  2  0  0  0  0
 12 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 16 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 23 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <ID>
CHEBI:35861

> <NAME>
dibenzo[a,l]pyrene

> <STAR>
3

> <SYNONYM>
Dibenzo[def,p]chrysene; Dibenzo[def,p]chrysene; Dibenzo(d,e,f,p)chrysene; DBP; Db(a,l)p; 4,5,6,7-Dibenzpyrene; 2,3:4,5-Dibenzopyrene; 1,2:9,10-Dibenzopyrene; 1,2:3,4-Dibenzopyrene; 1,2,9,10-Dibenzopyrene; 1,2,9,10-Dibenzopyrene; 1,2,3,4-Dibenzpyrene

> <IUPAC_NAME>
naphtho[1,2,3,4-pqr]tetraphene

> <FORMULA>
C24H14

> <MASS>
302.36796

> <MONOISOTOPIC_MASS>
302.10955

> <CHARGE>
0

> <SMILES>
c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34

> <INCHI>
InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H

> <INCHIKEY>
JNTHRSHGARDABO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2054068

> <CAS_REGISTRY_NUMBER>
191-30-0

> <CHEMIDPLUS>
191-30-0

> <KEGG_COMPOUND_ACCESSION>
C19174

> <NIST_CHEMISTRY_WEBBOOK>
191-30-0

$$$$