Ketcher 02222110542D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
   21.5779   -9.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4364   -9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2951   -9.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1604   -9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7126   -9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7073   -9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9662   -9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8368   -9.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0     0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  1  5  1  0     0  0
  5  6  2  0     0  0
  7  8  1  0     0  0
  8  6  1  0     0  0
M  END
> <ID>
CHEBI:88861

> <NAME>
(Z)-3-octene

> <DEFINITION>
A 3-octene in which the double bond adopts a cis-configuration.

> <STAR>
3

> <SYNONYM>
cis-oct-3-ene; cis-3-octene; (Z)-oct-3-ene; (3Z)-3-octene

> <IUPAC_NAME>
(3Z)-oct-3-ene

> <FORMULA>
C8H16

> <MASS>
112.216

> <MONOISOTOPIC_MASS>
112.12520

> <CHARGE>
0

> <SMILES>
CCCC\C=C/CC

> <INCHI>
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-

> <INCHIKEY>
YCTDZYMMFQCTEO-ALCCZGGFSA-N

> <CAS_REGISTRY_NUMBER>
14850-22-7

> <REAXYS_REGISTRY_NUMBER>
1719385

> <CHEMIDPLUS>
14850-22-7

> <NIST_CHEMISTRY_WEBBOOK>
14850-22-7

> <PUBMED_CITATION>
17602534; 19156283; 19462947; 24421258

$$$$