69785
  -OEChem-05082414522D

 31 30  0     0  0  0  0  0  0999 V2000
    9.7942    1.8730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.7390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.9930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.2390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.4930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.2390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.4930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.0070    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    1.7390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.2610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.9930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    0.5070    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.2390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.7610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.4930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.2610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.9930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    1.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    2.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  1 20  2  0  0  0  0
  1 21  1  0  0  0  0
  1 27  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 29  1  0  0  0  0
 18 29  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69785

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
730

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
20

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQByMcBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQQQQAAACAAAQBAAAAAAAAIAAAAAAHBAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

> <PUBCHEM_IUPAC_NAME>
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
RRRXPPIDPYTNJG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
498.9534782

> <PUBCHEM_MOLECULAR_FORMULA>
C8H2F17NO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
499.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

> <PUBCHEM_CACTVS_TPSA>
68.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.9534782

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$