10796
  -OEChem-05122401172D

  6  3  0     0  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 Cs  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cs  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
10796

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dicesium;carbonate

> <PUBCHEM_IUPAC_CAS_NAME>
dicesium;carbonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dicesium;carbonate

> <PUBCHEM_IUPAC_NAME>
dicesium;carbonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dicesium;carbonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dicesium;carbonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FJDQFPXHSGXQBY-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
325.7956478

> <PUBCHEM_MOLECULAR_FORMULA>
CCs2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
325.820

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)([O-])[O-].[Cs+].[Cs+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)([O-])[O-].[Cs+].[Cs+]

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
325.7956478

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$