74483
  -OEChem-05142411402D

 30 29  0     0  0  0  0  0  0999 V2000
    9.7942    2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.1340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.1340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    0.6340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.6340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.1340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  2  0  0  0  0
  1 21  2  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
 19 30  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>
74483

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
727

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
20

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBwMcBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQQACAAACAAAQBAAAAAAAIIAAAAAAHBAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

> <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-sulfonic acid

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8HF17O3S/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(H,26,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
YFSUTJLHUFNCNZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
499.9374938

> <PUBCHEM_MOLECULAR_FORMULA>
C8HF17O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
500.13

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

> <PUBCHEM_CACTVS_TPSA>
62.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
499.9374938

> <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

$$$$