13355
 OpenBabel05082101102D

 16 13  0  0  1  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  3  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
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  4   1   1   2   1   5  -1   6  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
13355

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
123

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgODAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_CAS_NAME>
disodium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_NAME>
disodium;2,3-dihydroxybutanedioate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;2,3-bis(oxidanyl)butanedioate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;tartrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
HELHAJAZNSDZJO-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
193.980326

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H4Na2O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
194.05

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

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

>  <PUBCHEM_CACTVS_TPSA>
121

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.980326

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
9  3  3
10  4  3

$$$$
