59446207
  -OEChem-04192422342D

 10  8  0     0  0  0  0  0  0999 V2000
    6.0010    0.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
59446207

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACABAAgAIAACQCAAAAAAAAAAAAICAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;carboxymethylazanide

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;carboxymethylazanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;carboxymethylazanide

> <PUBCHEM_IUPAC_NAME>
sodium;carboxymethylazanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-hydroxy-2-oxoethylazanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;carboxymethylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4NO2.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
OMWUYYTWPMWEBO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
97.01397265

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4NNaO2

> <PUBCHEM_MOLECULAR_WEIGHT>
97.05

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

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

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
97.01397265

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$