Marvin  03011015582D          

 14 15  0  0  0  0            999 V2000
    5.0013   -5.2631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -5.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -4.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958   -4.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958   -3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -6.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9746   -6.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -6.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9746   -7.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -7.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -8.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  9  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
> <ID>
CHEBI:58996

> <NAME>
(E)-azobenzene

> <DEFINITION>
The (E)-isomer of azobenzene.

> <STAR>
3

> <SYNONYM>
trans-azobenzene; (E)-azodibenzene; (E)-azobisbenzene; (E)-azobenzol

> <IUPAC_NAME>
(E)-diphenyldiazene

> <FORMULA>
C12H10N2

> <MASS>
182.22120

> <MONOISOTOPIC_MASS>
182.08440

> <CHARGE>
0

> <SMILES>
c1ccc(cc1)\N=N\c1ccccc1

> <INCHI>
InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H/b14-13+

> <INCHIKEY>
DMLAVOWQYNRWNQ-BUHFOSPRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
742610

> <CAS_REGISTRY_NUMBER>
103-33-3

> <GMELIN_REGISTRY_NUMBER>
83610

> <REAXYS_REGISTRY_NUMBER>
742610

> <CHEMIDPLUS>
17082-12-1

> <KEGG_COMPOUND_ACCESSION>
C19334

> <NIST_CHEMISTRY_WEBBOOK>
17082-12-1

> <WIKIPEDIA_ACCESSION>
Azobenzene

> <PUBMED_CITATION>
23425469; 24287588

$$$$