10791
  -OEChem-05052408182D

 12  7  0     0  0  0  0  0  0999 V2000
    3.2996    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.4641    4.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.7015    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
M  CHG  6   1   1   2   1   3   1   5  -1   7  -1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
10791

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
43.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAODAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trisodium;hydrogen carbonate;carbonate

> <PUBCHEM_IUPAC_CAS_NAME>
trisodium;hydrogen carbonate;carbonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
trisodium;hydrogen carbonate;carbonate

> <PUBCHEM_IUPAC_NAME>
trisodium;hydrogen carbonate;carbonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trisodium;hydrogen carbonate;carbonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trisodium;bicarbonate;carbonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2CH2O3.3Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;3*+1/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
WCTAGTRAWPDFQO-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
189.94662059

> <PUBCHEM_MOLECULAR_FORMULA>
C2HNa3O6

> <PUBCHEM_MOLECULAR_WEIGHT>
189.99

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

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

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
189.94662059

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$