CDK     1023151749

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.3656    1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656    0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -0.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
M  END
> <ID>
CHEBI:89920

> <NAME>
p-Mentha-1,3,5,8-tetraene

> <STAR>
2

> <SYNONYM>
Para- alpha-dimethylstyrene; P-Methyl-alpha-methylstyrene; p-Isopropenyltoluene; P-Isopropenyl toluene; p-Cymenene; p-alpha-Dimethylstyrene; P-alpha-Dimethylstyrene; p-alpha-Dimethyl-Styrene; P,alpha-Dimethylstyrol; P,alpha-Dimethylstyrene; p,alpha-Dimethyl-Styrene; p,a-Dimethylstyrene, 8CI; Methyl-p-isopropenylbenzene; Methyl-4-(1-methylethenyl)-benzene; Isopropenyl toluene c; Ghl.PD_Mitscher_leg0.317; FEMA 3144; Dehydro-p-cymene; Cymenene; alpha-p dimethylstyrene; alpha-Methyl-p-methylstyrene; alpha-Dimethyl-p-styrene; alpha,p-Dimethylstyrene; alpha,4-Dimethylstyrene; 4-Methylisopropenylbenzene; 4-Methyl-alpha-methylstyrene; 4-Isopropenyltoluene; 2-p-Tolylpropene; 2-(p-Methylphenyl)propene; 2-(4-Methylphenyl)propene; 1-Methyl-4alpha-methylstyrene; 1-Methyl-4-isopropenylbenzene; 1-methyl-4-(prop-1-en-2-yl)benzene; 1-Methyl-4-(1-methylethenyl)benzene, 9CI; 1-Methyl-4-(1-methylethenyl)benzene; 1-Methyl-4-(1-methylethenyl)-Benzene; 1-Methyl-4-(1-methylethenyl)-benzene; 1-Isopropenyl-4-methylbenzene

> <FORMULA>
C10H12

> <MASS>
132.203

> <MONOISOTOPIC_MASS>
132.09390

> <CHARGE>
0

> <SMILES>
C=1C=C(C=CC1C)C(C)=C

> <INCHI>
InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3

> <INCHIKEY>
MMSLOZQEMPDGPI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1195-32-0

> <KNAPSACK_ACCESSION>
C00010905

> <PUBMED_CITATION>
17314143; 24023812; 24421258

$$$$