23664719
 OpenBabel05082101102D

 10  8  0  0  1  0  0  0  0  0999 V2000
    3.4030    0.0000    0.0000 As  0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
23664719

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
71.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAMCAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAEACAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;hydroxy(methyl)arsinate

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;hydroxy(methyl)arsinate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;hydroxy(methyl)arsinate

>  <PUBCHEM_IUPAC_NAME>
sodium;hydroxy(methyl)arsinate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;methyl(oxidanyl)arsinate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;hydroxy(methyl)arsinate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH5AsO3.Na/c1-2(3,4)5;/h1H3,(H2,3,4,5);/q;+1/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
JITOKQVGRJSHHA-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
161.927408

>  <PUBCHEM_MOLECULAR_FORMULA>
CH4AsNaO3

>  <PUBCHEM_MOLECULAR_WEIGHT>
161.952

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

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

>  <PUBCHEM_CACTVS_TPSA>
60.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
161.927408

>  <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

$$$$
