Ketcher 04061615402D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
   12.7335   -8.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7335   -9.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8674   -8.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8674  -10.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0014   -8.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0014   -9.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8673   -7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3673   -6.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8673   -7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3673   -5.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013   -7.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7333   -6.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  9  8  2  0     0  0
  9  7  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
  7 12  1  0     0  0
M  END
> <ID>
CHEBI:87342

> <NAME>
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene

> <DEFINITION>
A member of the class of benzenes that is benzene substituted by a 1,2,3-trimethyl-2-cyclopropen-1-yl group.

> <STAR>
3

> <IUPAC_NAME>
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene

> <FORMULA>
C12H14

> <MASS>
158.240

> <MONOISOTOPIC_MASS>
158.10955

> <CHARGE>
0

> <SMILES>
C=1C=CC=CC1C2(C(=C2C)C)C

> <INCHI>
InChI=1S/C12H14/c1-9-10(2)12(9,3)11-7-5-4-6-8-11/h4-8H,1-3H3

> <INCHIKEY>
OHNHLTBFDBOYSK-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1929228

$$$$