2734571
  -OEChem-05042401392D

 25 21  0     0  0  0  0  0  0999 V2000
    4.8660   -0.1830    0.0000 Sc  0  1  0  0  0  0  0  0  0  0  0  0
    6.5981   -0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.6830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641   -0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    2.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    0.9510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.6830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8660    0.8170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.6830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0981    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981   -1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  2  0  0  0  0
  2 23  1  0  0  0  0
  3 15  1  0  0  0  0
  3 19  2  0  0  0  0
  3 20  2  0  0  0  0
  3 24  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  2  0  0  0  0
  4 22  2  0  0  0  0
  4 25  1  0  0  0  0
  5 23  1  0  0  0  0
  6 23  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  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 25  1  0  0  0  0
M  CHG  4   1   3  14  -1  15  -1  16  -1
M  END
> <PUBCHEM_COMPOUND_CID>
2734571

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
145

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
18

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAPcBgAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQAAAAAAAAAABAAAAAAAAIAAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
scandium(3+);trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
scandium(3+);trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
scandium(3+);trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
scandium(3+);trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
scandium(3+);tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
scandium(3+);tritriflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3CHF3O3S.Sc/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
HZXJVDYQRYYYOR-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
491.811981

> <PUBCHEM_MOLECULAR_FORMULA>
C3F9O9S3Sc

> <PUBCHEM_MOLECULAR_WEIGHT>
492.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sc+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sc+3]

> <PUBCHEM_CACTVS_TPSA>
197

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
491.811981

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$