1241177
  -OEChem-05042400362D

 44 48  0     0  0  0  0  0  0999 V2000
    6.4726   -0.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4476    1.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1619   -1.7729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    1.4105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455   -2.5776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1619   -3.3824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752    0.6058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7618    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0939    1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4511   -0.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4046    2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157   -2.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0509    1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3831    2.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157   -3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3497   -1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3497   -3.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837   -2.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837   -3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4717   -1.2358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0649   -0.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891    0.5448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3467    0.2972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1543    0.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9905    2.4907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576    1.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5757    2.8247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3497   -0.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3497   -4.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9467   -1.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9467   -3.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 37  1  0  0  0  0
 22 26  1  0  0  0  0
 22 38  1  0  0  0  0
 23 27  1  0  0  0  0
 23 39  1  0  0  0  0
 24 28  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  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
M  END
> <PUBCHEM_COMPOUND_CID>
1241177

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
467

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHgAMAAAADAihngIwwLAQAACiAyRiQACCBAQgEgA4mCAwfJgIZqKAkZGAMABkwAEIyAfQwKAOgAAAAAAQACAAAAAAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[2-(1-benzotriazolyloxymethyl)phenyl]methoxy]benzotriazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole

> <PUBCHEM_IUPAC_NAME>
1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[2-(benzotriazol-1-yloxymethyl)phenyl]methoxy]benzotriazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(benzotriazol-1-yloxymethyl)benzyl]oxybenzotriazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N6O2/c1-2-8-16(14-28-26-20-12-6-4-10-18(20)22-24-26)15(7-1)13-27-25-19-11-5-3-9-17(19)21-23-25/h1-12H,13-14H2

> <PUBCHEM_IUPAC_INCHIKEY>
DQFWHEVJWDYBER-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
372.13347377

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)CON2C3=CC=CC=C3N=N2)CON4C5=CC=CC=C5N=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)CON2C3=CC=CC=C3N=N2)CON4C5=CC=CC=C5N=N4

> <PUBCHEM_CACTVS_TPSA>
79.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.13347377

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  14  8
13  17  8
14  18  8
15  19  8
15  21  8
16  20  8
16  22  8
17  18  8
19  23  8
20  24  8
21  25  8
22  26  8
23  27  8
24  28  8
25  27  8
26  28  8
3  15  8
3  5  8
4  16  8
4  6  8
5  7  8
6  8  8
7  19  8
8  20  8
9  10  8
9  13  8

$$$$