61460
 OpenBabel05082101102D

 29 19  0  0  0  0  0  0  0  0999 V2000
    4.4768    0.8660    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    0.8660    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.4768    2.5981    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6108    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9768    1.7320    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9768    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    4.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    7.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    9.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414   12.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458    6.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8197    6.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783    4.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    4.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783    7.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    7.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783    9.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    9.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783   12.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044   12.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2828    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2089    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3566    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2828    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  4 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  CHG  4   2   1   3   1   5  -1   6  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
61460

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
46.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

>  <PUBCHEM_CACTVS_HBOND_DONOR>
8

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccAAPDAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;hydrogen arsorate;heptahydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
disodium;hydrogen arsorate;heptahydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;hydrogen arsorate;heptahydrate

>  <PUBCHEM_IUPAC_NAME>
disodium;hydrogen arsorate;heptahydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;hydrogen arsorate;heptahydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;hydrogen arsorate;heptahydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/AsH3O4.2Na.7H2O/c2-1(3,4)5;;;;;;;;;/h(H3,2,3,4,5);;;7*1H2/q;2*+1;;;;;;;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
KOLXPEJIBITWIQ-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
311.962569

>  <PUBCHEM_MOLECULAR_FORMULA>
AsH15Na2O11

>  <PUBCHEM_MOLECULAR_WEIGHT>
312.01

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

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

>  <PUBCHEM_CACTVS_TPSA>
90.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.962569

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
14

>  <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>
10

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
