Ketcher 03241714082D 1   1.00000     0.00000     0

 19 18  0     0  0            999 V2000
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    5.3251   -4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2533   -4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3872   -3.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5212   -4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6552   -3.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891   -4.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9231   -3.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570   -4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -5.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1910   -5.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570   -5.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9231   -5.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891   -5.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6551   -5.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5212   -5.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3872   -5.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1193   -3.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9853   -3.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0     0  0
  1  2  2  0     0  0
 10  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 19 18  3  0     0  0
  3 18  1  0     0  0
M  END
> <ID>
CHEBI:133637

> <NAME>
oleonitrile

> <DEFINITION>
A fatty nitrile obtained by formal condensation of oleic acid with ammonia.

> <STAR>
3

> <SYNONYM>
Oleylonitrile; Oleyl nitrile; Oleoylnitrile; Oleic nitrile; Oleic acid nitrile; cis-9-octadecenenitrile; (Z)-octadec-9-enenitrile; (Z)-9-Octadecenenitrile; (Z)-9-octadecenenitrile

> <IUPAC_NAME>
(9Z)-octadec-9-enenitrile

> <FORMULA>
C18H33N

> <MASS>
263.462

> <MONOISOTOPIC_MASS>
263.26130

> <CHARGE>
0

> <SMILES>
C(\CCCCCCCC#N)=C\CCCCCCCC

> <INCHI>
InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-

> <INCHIKEY>
UIAMCVSNZQYIQS-KTKRTIGZSA-N

> <CAS_REGISTRY_NUMBER>
112-91-4

> <REAXYS_REGISTRY_NUMBER>
1102081

> <CHEMIDPLUS>
112-91-4

> <PUBMED_CITATION>
3442664; 3442665

$$$$