Mrv0541 04021416412D          

 23 22  0  0  0  0            999 V2000
    0.8874   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018   -1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307   -1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4594   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470   -1.9803    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8719   -1.9803    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739   -0.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1576   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -0.0283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -1.2657    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -0.4407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8884   -1.2658    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739   -0.0283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8884   -0.4408    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 15  2  1  0  0  0  0
  5 15  1  0  0  0  0
 12  5  1  0  0  0  0
  8 12  1  0  0  0  0
 11  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <ID>
CHEBI:38847

> <NAME>
perfluoroheptane

> <STAR>
3

> <SYNONYM>
perfluoroheptane; perfluoro-n-heptane; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane

> <IUPAC_NAME>
hexadecafluoroheptane

> <FORMULA>
C7F16

> <MASS>
388.04940

> <MONOISOTOPIC_MASS>
387.97445

> <CHARGE>
0

> <SMILES>
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

> <INCHI>
InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23

> <INCHIKEY>
LGUZHRODIJCVOC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1716335

> <CAS_REGISTRY_NUMBER>
335-57-9

> <GMELIN_REGISTRY_NUMBER>
275957

> <CHEMIDPLUS>
335-57-9

> <NIST_CHEMISTRY_WEBBOOK>
335-57-9

$$$$