67821
  -OEChem-05052420242D

 29 28  0     0  0  0  0  0  0999 V2000
    7.3671   -0.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331   -0.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    0.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -1.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350   -0.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -1.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    0.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9651    2.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -0.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -2.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    1.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312    2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 27  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 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
M  END
> <PUBCHEM_COMPOUND_CID>
67821

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
615

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
19

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBwMcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwAACAAACAAAgBAACAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid

> <PUBCHEM_IUPAC_NAME>
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoropelargonic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
UZUFPBIDKMEQEQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
463.9705080

> <PUBCHEM_MOLECULAR_FORMULA>
C9HF17O2

> <PUBCHEM_MOLECULAR_WEIGHT>
464.08

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

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

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
463.9705080

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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

$$$$