57168094
  -OEChem-04242414082D

 30 31  0     0  0  0  0  0  0999 V2000
    6.0010   -0.5950    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 18  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
57168094

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
249

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAIAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQACAACAyBkAAwxoBAARCAQCRCQICCAAAgIgAIiAAGbIgIJiKAkZOAMABk0BEIyAewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(4-aminophenoxy)-oxo-phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(4-aminophenoxy)-oxophosphonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(4-aminophenoxy)-oxophosphanium

> <PUBCHEM_IUPAC_NAME>
bis(4-aminophenoxy)-oxophosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(4-azanylphenoxy)-oxidanylidene-phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bis(4-aminophenoxy)-keto-phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H12N2O3P/c13-9-1-5-11(6-2-9)16-18(15)17-12-7-3-10(14)4-8-12/h1-8H,13-14H2/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
QAYZDXPAJBJDPS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
263.05855425

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12N2O3P+

> <PUBCHEM_MOLECULAR_WEIGHT>
263.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)O[P+](=O)OC2=CC=C(C=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)O[P+](=O)OC2=CC=C(C=C2)N

> <PUBCHEM_CACTVS_TPSA>
87.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.05855425

> <PUBCHEM_TOTAL_CHARGE>
1

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
10  18  8
11  15  8
12  16  8
13  17  8
14  18  8
7  11  8
7  13  8
8  12  8
8  14  8
9  15  8
9  17  8

$$$$