5352729
  CDK     0602212311

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.7935    0.5693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.5693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.1568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:174131

> <NAME>
(E)-1-Propenyl 1-(propylthio)propyl disulfide

> <STAR>
2

> <IUPAC_NAME>
1-[[(E)-prop-1-enyl]disulanyl]-1-propylsulanylpropane

> <FORMULA>
C9H18S3

> <MASS>
222.420

> <MONOISOTOPIC_MASS>
222.05706

> <CHARGE>
0

> <SMILES>
S(C(SS/C=C/C)CC)CCC

> <INCHI>
InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+

> <INCHIKEY>
ZJSMHYXMALNRQK-VMPITWQZSA-N

$$$$