2724247
 OpenBabel05082101102D

 12 10  0  0  0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
2724247

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
65.9

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMCAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAEAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;dimethylarsinate

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;dimethylarsinate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;dimethylarsinate

>  <PUBCHEM_IUPAC_NAME>
sodium;dimethylarsinate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;dimethylarsinate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;cacodylate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
IHQKEDIOMGYHEB-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
159.948143

>  <PUBCHEM_MOLECULAR_FORMULA>
C2H6AsNaO2

>  <PUBCHEM_MOLECULAR_WEIGHT>
159.98

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

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

>  <PUBCHEM_CACTVS_TPSA>
40.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
159.948143

>  <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>
2  3  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
