22273
 OpenBabel05082101102D

 34 30  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.4330    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5670    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0670    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.0670    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.0670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7320    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -1.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541   -1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741   -0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350    0.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4081    1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5611    1.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  2  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  CHG  4   4   3   5  -1   6  -1   7  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
22273

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
53.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBgOAAAAAAgQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAEAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ferric;dimethylarsinate

>  <PUBCHEM_IUPAC_CAS_NAME>
dimethylarsinate;iron(3+)

>  <PUBCHEM_IUPAC_NAME_MARKUP>
dimethylarsinate;iron(3+)

>  <PUBCHEM_IUPAC_NAME>
dimethylarsinate;iron(3+)

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dimethylarsinate;iron(3+)

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ferric;tricacodylate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C2H7AsO2.Fe/c3*1-3(2,4)5;/h3*1-2H3,(H,4,5);/q;;;+3/p-3

>  <PUBCHEM_IUPAC_INCHIKEY>
LZHICUSBBXKVSP-UHFFFAOYSA-K

>  <PUBCHEM_EXACT_MASS>
466.81006

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H18As3FeO6

>  <PUBCHEM_MOLECULAR_WEIGHT>
466.81

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C[As](=O)(C)[O-].C[As](=O)(C)[O-].C[As](=O)(C)[O-].[Fe+3]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[As](=O)(C)[O-].C[As](=O)(C)[O-].C[As](=O)(C)[O-].[Fe+3]

>  <PUBCHEM_CACTVS_TPSA>
120

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
466.81006

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <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>
4

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
