6017
 OpenBabel05082101102D

 45 50  0  0  0  0  0  0  0  0999 V2000
    4.6660   -1.2095    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    0.7302    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6921    2.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    2.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3349    1.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3578    2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6772    0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229    3.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0335    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371    0.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312   -0.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689    3.8242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631    2.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565    1.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0739   -0.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263    3.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436    1.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
 14 30  1  0  0  0  0
 15 23  1  0  0  0  0
 15 31  1  0  0  0  0
 16 24  1  0  0  0  0
 16 32  1  0  0  0  0
 17 25  1  0  0  0  0
 17 33  1  0  0  0  0
 18 26  1  0  0  0  0
 18 34  1  0  0  0  0
 19 27  1  0  0  0  0
 19 35  1  0  0  0  0
 20 28  1  0  0  0  0
 20 36  1  0  0  0  0
 21 29  1  0  0  0  0
 21 37  1  0  0  0  0
 22 26  2  0  0  0  0
 22 38  1  0  0  0  0
 23 27  2  0  0  0  0
 23 39  1  0  0  0  0
 24 28  2  0  0  0  0
 24 40  1  0  0  0  0
 25 29  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6017

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
482

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAQAAAAAAAAAAAAAAAAAA0aMGCAAAAAACRVAAAGgEAAAAACASAkAAwBoAABACAACBCAAACCAAgIAAIjAAGCIgMJiKEMRqCOCCkwBEIqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
10-phenoxarsinin-10-yloxyphenoxarsinine

>  <PUBCHEM_IUPAC_CAS_NAME>
10-(10-phenoxarsininyloxy)phenoxarsinine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
10-phenoxarsinin-10-yloxyphenoxarsinine

>  <PUBCHEM_IUPAC_NAME>
10-phenoxarsinin-10-yloxyphenoxarsinine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-phenoxarsinin-10-yloxyphenoxarsinine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-phenoxarsinin-10-yloxyphenoxarsinine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H

>  <PUBCHEM_IUPAC_INCHIKEY>
VCRZAKVGPJFABU-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
501.95313

>  <PUBCHEM_MOLECULAR_FORMULA>
C24H16As2O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
502.2

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64

>  <PUBCHEM_CACTVS_TPSA>
27.7

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
501.95313

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
29

>  <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>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  18  8
11  19  8
12  20  8
13  21  8
14  22  8
15  23  8
16  24  8
17  25  8
18  26  8
19  27  8
20  28  8
21  29  8
22  26  8
23  27  8
24  28  8
25  29  8
6  10  8
6  14  8
7  11  8
7  15  8
8  12  8
8  16  8
9  13  8
9  17  8

$$$$
