5242
  -OEChem-05302104142D

  9  7  0     0  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
    2.8660    0.2500    0.0000 O   0  5  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
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   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
    6.0010    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
5242

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
90.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBCMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADgAQAAAAAAABgAAACABAAAAIAAGQGAIAAAAAAAAAAADAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;oxamate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;oxamate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;oxamate

> <PUBCHEM_IUPAC_NAME>
sodium;oxamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-azanyl-2-oxidanylidene-ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;oxamate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
RQVZIJIQDCGIKI-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
110.99323721

> <PUBCHEM_MOLECULAR_FORMULA>
C2H2NNaO3

> <PUBCHEM_MOLECULAR_WEIGHT>
111.03

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

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

> <PUBCHEM_CACTVS_TPSA>
83.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
110.99323721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
