67514796
  -OEChem-05102421032D

 21 19  0     1  0  0  0  0  0999 V2000
    5.9543    1.3368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4334   -1.1278    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4368    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.8456   -0.3187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4443   -1.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.7459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4863   -0.9014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.3858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6453    0.3858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9543    1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511   -0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -0.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0191    1.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3478    1.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    0.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8040    0.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228    1.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  CHG  4   2   1   3   1   4  -1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
67514796

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
221

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiODBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgQQAAAACCjFwASCCALAAAgIAACQCAAAAABAABAAAIGIAAACAAAgACAAAAAAEACwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;2-methylthiazolidine-2,4-dicarboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;2-methylthiazolidine-2,4-dicarboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;2-methyl-1,3-thiazolidine-2,4-dicarboxylate

> <PUBCHEM_IUPAC_NAME>
disodium;2-methyl-1,3-thiazolidine-2,4-dicarboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;2-methyl-1,3-thiazolidine-2,4-dicarboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;2-methylthiazolidine-2,4-dicarboxylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H9NO4S.2Na/c1-6(5(10)11)7-3(2-12-6)4(8)9;;/h3,7H,2H2,1H3,(H,8,9)(H,10,11);;/q;2*+1/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
DIPSGAYMTYJXPI-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
234.98911744

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7NNa2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
235.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(NC(CS1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(NC(CS1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.98911744

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
10  14  3
9  12  3

$$$$