25214
 OpenBabel05082101102D

 19 12  0  0  0  0  0  0  0  0999 V2000
    5.6720    0.0000    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8059    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2700    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
25214

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
7.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
4

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccAAPAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
strontium;oxoarsinite;tetrahydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
strontium;oxoarsinite;tetrahydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
strontium;oxoarsinite;tetrahydrate

>  <PUBCHEM_IUPAC_NAME>
strontium;oxoarsinite;tetrahydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
strontium;oxoarsinite;tetrahydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
strontium;oxoarsinite;tetrahydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2AsHO2.4H2O.Sr/c2*2-1-3;;;;;/h2*(H,2,3);4*1H2;/q;;;;;;+2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
OJYQTWHPGARCCK-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
373.77072

>  <PUBCHEM_MOLECULAR_FORMULA>
As2H8O8Sr

>  <PUBCHEM_MOLECULAR_WEIGHT>
373.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
O.O.O.O.[O-][As]=O.[O-][As]=O.[Sr+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
O.O.O.O.[O-][As]=O.[O-][As]=O.[Sr+2]

>  <PUBCHEM_CACTVS_TPSA>
84.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.77072

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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>
7

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
