68553
  -OEChem-04192423592D

 44 45  0     1  0  0  0  0  0999 V2000
    6.8671    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9651    7.0388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5991    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4651    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2742    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6561    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    7.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0665    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3296    7.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    8.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 44  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 20  2  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 35  1  0  0  0  0
 18 25  2  0  0  0  0
 18 26  1  0  0  0  0
 19 24  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 41  1  0  0  0  0
 27 29  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   7  -1  11   1
M  END
> <PUBCHEM_COMPOUND_CID>
68553

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
441

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAHAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIECAAADBbhmiY9kJcMVAChAjBnZQACgC0xF6AJyAAYOoiKbiKBuxmXMAAswAOYqCeQwKAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
MCCACAIVAXEFAL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
478.978717

> <PUBCHEM_MOLECULAR_FORMULA>
C18H15Cl4N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
479.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
93.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
476.981667

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  20  8
10  24  8
12  13  3
14  16  8
14  17  8
16  21  8
17  22  8
18  25  8
18  26  8
19  24  8
21  23  8
22  23  8
25  27  8
26  28  8
27  29  8
28  29  8
9  19  8
9  20  8

$$$$