Marvin  12080623262D          

 12 12  0  0  0  0            999 V2000
   -1.3802    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802   -0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  3  1  0  0  0  0
  6 10  1  0  0  0  0
  9  1  1  0  0  0  0
  4  9  1  0  0  0  0
 11  5  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12  7  1  0  0  0  0
  8  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:32399

> <NAME>
12-crown-4

> <DEFINITION>
A crown ether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 have been replaced by oxygen atoms.

> <STAR>
3

> <SYNONYM>
ethylene oxide cyclic tetramer; EOCT; 12-crown-4 ether

> <IUPAC_NAME>
1,4,7,10-tetraoxacyclododecane

> <FORMULA>
C8H16O4

> <MASS>
176.21024

> <MONOISOTOPIC_MASS>
176.10486

> <CHARGE>
0

> <SMILES>
C1COCCOCCOCCO1

> <INCHI>
InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

> <INCHIKEY>
XQQZRZQVBFHBHL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1363064

> <CAS_REGISTRY_NUMBER>
294-93-9

> <GMELIN_REGISTRY_NUMBER>
3287

> <REAXYS_REGISTRY_NUMBER>
1363064

> <CHEMIDPLUS>
294-93-9

> <NIST_CHEMISTRY_WEBBOOK>
294-93-9

> <WIKIPEDIA_ACCESSION>
12-Crown-4

> <PUBMED_CITATION>
24281552

$$$$