12343405
  -OEChem-04262418352D

 54 54  0     1  0  0  0  0  0999 V2000
    6.6210    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    4.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7191    7.0388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.5600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3531    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4871    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0281    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4101    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7191    7.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8765    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0976    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6991    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0105    6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4090    5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8297    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331    7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    7.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    6.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    8.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671    9.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784    9.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    8.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6178    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8204    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090   10.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   10.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   10.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0835    7.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3  8  1  0  0  0  0
  3 54  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 22  2  0  0  0  0
  7 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 43  1  0  0  0  0
 20 25  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 27  2  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  0  0  0  0
 23 48  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
12343405

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIECAAADQLBGiQ/kJcMUAChAjBnZQACgC0xF6AJyAAYMoiIaCKBmxGUIAAogAKIiCcQgMAOhAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H26Cl2N2.HNO3/c1-2-3-4-5-6-7-8-16(14-23-12-11-22-15-23)18-10-9-17(20)13-19(18)21;2-1(3)4/h9-13,15-16H,2-8,14H2,1H3;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
BEWCLRNLNXECES-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
415.1429471

> <PUBCHEM_MOLECULAR_FORMULA>
C19H27Cl2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
416.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.1429471

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
15  18  8
15  19  8
18  23  8
19  24  8
21  27  8
23  26  8
24  26  8
6  21  8
6  22  8
7  22  8
7  27  8
9  10  3

$$$$