Ketcher 08201623052D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
    6.0706  -21.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706  -22.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2045  -21.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2045  -23.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3385  -21.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3385  -22.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9366  -23.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026  -22.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686  -23.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026  -21.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  7  2  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
  8 10  2  0     0  0
M  END
> <ID>
CHEBI:61316

> <NAME>
(3Z)-hex-3-en-1-yl acetate

> <DEFINITION>
An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol.

> <STAR>
3

> <SYNONYM>
cis-3-hexenyl ethanoate; cis-3-hexenyl acetate; cis-3-hexen-1-yl acetate; 3Z-hexenyl acetate; (Z)-hex-3-enyl acetate; (Z)-3-hexenyl acetate; (Z)-3-hexenol acetate; (Z)-3-hexen-1-yl acetate; (3Z)-hex-3-en-1-yl acetate

> <IUPAC_NAME>
(3Z)-hex-3-en-1-yl acetate

> <FORMULA>
C8H14O2

> <MASS>
142.196

> <MONOISOTOPIC_MASS>
142.09938

> <CHARGE>
0

> <SMILES>
CC/C=C\CCOC(C)=O

> <INCHI>
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-

> <INCHIKEY>
NPFVOOAXDOBMCE-PLNGDYQASA-N

> <CAS_REGISTRY_NUMBER>
3681-71-8

> <REAXYS_REGISTRY_NUMBER>
1721854

> <CHEMIDPLUS>
3681-71-8

> <NIST_CHEMISTRY_WEBBOOK>
3681-71-8

> <PUBMED_CITATION>
10099363; 17163881

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