Marvin  01270912132D          

 18 19  0  0  0  0            999 V2000
   -3.6536    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6536   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2246   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7957   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7767   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911   -0.0000    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <ID>
CHEBI:51594

> <NAME>
1,6-diphenylhexatriene

> <STAR>
3

> <SYNONYM>
Diphenylhexatriene; 1,6-Diphenyl-1,3,5-hexatriene

> <IUPAC_NAME>
1,1'-(1E,3E,5E)-hexa-1,3,5-triene-1,6-diyldibenzene

> <FORMULA>
C18H16

> <MASS>
232.31964

> <MONOISOTOPIC_MASS>
232.12520

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+

> <INCHIKEY>
BOBLSBAZCVBABY-WPWUJOAOSA-N

> <CAS_REGISTRY_NUMBER>
1720-32-7

> <CHEMIDPLUS>
1720-32-7

> <NIST_CHEMISTRY_WEBBOOK>
1720-32-7

$$$$