5290862
  -OEChem-04262422502D

 41 42  0     1  0  0  0  0  0999 V2000
    2.3100    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3100    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7741    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7741   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5062    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5062   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0980   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1495    0.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 31  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5290862

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
466

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4McAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGwAACAAADESAmBAwAIAAAgCIAqBSAAACAAAgAAAIiAEACMgIJjaAERCAcAAk4AEImYeIyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-hept-1-en-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one

> <PUBCHEM_IUPAC_NAME>
(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-6,6,7,7-tetrakis(fluoranyl)-5-oxidanyl-1,5-diphenyl-hept-1-en-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-hept-1-en-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16F4O2/c20-17(21)19(22,23)18(25,15-9-5-2-6-10-15)13-16(24)12-11-14-7-3-1-4-8-14/h1-12,17,25H,13H2/b12-11+

> <PUBCHEM_IUPAC_INCHIKEY>
LRSCXAZTJXRCCO-VAWYXSNFSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
352.10864240

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16F4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
352.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C=CC(=O)CC(C2=CC=CC=C2)(C(C(F)F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)/C=C/C(=O)CC(C2=CC=CC=C2)(C(C(F)F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.10864240

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  14  8
13  15  8
14  16  8
15  18  8
16  18  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8
7  5  3

$$$$