23510997
  -OEChem-05132408572D

 36 36  0     0  0  0  0  0  0999 V2000
    6.5090    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    8.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5090    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9720    9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    5.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    5.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  8  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23510997

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQBAAACAyBkAAyxoBAAACAACRCQACCAAAgIgAIiAAGbIgIJiKAkZOAMABk0BEIyAewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(4-aminophenyl)peroxyaniline;ethane

> <PUBCHEM_IUPAC_CAS_NAME>
4-(4-aminophenyl)dioxyaniline;ethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(4-aminophenyl)peroxyaniline;ethane

> <PUBCHEM_IUPAC_NAME>
4-(4-aminophenyl)peroxyaniline;ethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(4-aminophenyl)peroxyaniline;ethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-(4-aminophenyl)peroxyphenyl]amine;ethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H12N2O2.C2H6/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12;1-2/h1-8H,13-14H2;1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FZNGSVRIENWBMB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
246.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C14H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
246.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC.C1=CC(=CC=C1N)OOC2=CC=C(C=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC.C1=CC(=CC=C1N)OOC2=CC=C(C=C2)N

> <PUBCHEM_CACTVS_TPSA>
70.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
5  11  8
5  9  8
6  10  8
6  12  8
7  13  8
7  15  8
8  14  8
8  16  8
9  13  8

$$$$