388364
  -OEChem-06191300342D

 29 28  0     0  0  0  0  0  0999 V2000
    2.6340    2.4151    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -4.0131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.6471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2320    2.9151    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    4.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -3.1471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2680   -3.1471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.7811    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3660    3.4151    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8660   -2.6471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1340   -3.6471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.6505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    2.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.8826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -2.6796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 23  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  CHG  8   5  -1   6  -1  10  -1  11  -1  14   1  15   1  16   1  17   1
M  END
> <PUBCHEM_COMPOUND_CID>
388364

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
13

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjvYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHwAEAAAACAChgAIBCAAQRAAJAAAACwAAAAAAAAAgAAAAAAASAAAAAAAhAAACAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate

> <PUBCHEM_IUPAC_CAS_NAME>
carbonic acid (2-fluoro-2,2-dinitroethyl) (3-fluoro-3,3-dinitropropyl) ester

> <PUBCHEM_IUPAC_NAME>
(2-fluoro-2,2-dinitroethyl) (3-fluoro-3,3-dinitropropyl) carbonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-fluoranyl-2,2-dinitro-ethyl) (3-fluoranyl-3,3-dinitro-propyl) carbonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbonic acid (2-fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6F2N4O11/c7-5(9(14)15,10(16)17)1-2-22-4(13)23-3-6(8,11(18)19)12(20)21/h1-3H2

> <PUBCHEM_IUPAC_INCHIKEY>
ZPHHHIDBVROPBD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
348.000113

> <PUBCHEM_MOLECULAR_FORMULA>
C6H6F2N4O11

> <PUBCHEM_MOLECULAR_WEIGHT>
348.128846

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(COC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(COC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F

> <PUBCHEM_CACTVS_TPSA>
219

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
348.000113

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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

$$$$