Marvin  10140723302D          

 20 19  0  0  0  0            999 V2000
   -6.0730    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4  3  1  0  0  0  0
  5 19  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11 16  1  0  0  0  0
 12 11  1  0  0  0  0
 13 17  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18  2  1  0  0  0  0
 19  4  1  0  0  0  0
M  END
> <ID>
CHEBI:44752

> <NAME>
hexaethylene glycol monomethyl ether

> <STAR>
3

> <SYNONYM>
Hexaethylene glycol monomethyl ether; 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL

> <IUPAC_NAME>
2,5,8,11,14,17-hexaoxanonadecan-19-ol

> <FORMULA>
C13H28O7

> <MASS>
296.35722

> <MONOISOTOPIC_MASS>
296.18350

> <CHARGE>
0

> <SMILES>
COCCOCCOCCOCCOCCOCCO

> <INCHI>
InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3

> <INCHIKEY>
FHHGCKHKTAJLOM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1784773

> <CAS_REGISTRY_NUMBER>
23601-40-3

> <GMELIN_REGISTRY_NUMBER>
2362829

> <CHEMIDPLUS>
23601-40-3

> <NIST_CHEMISTRY_WEBBOOK>
23601-40-3

> <PDBECHEM_ACCESSION>
P15

$$$$