12343403
  -OEChem-05052413402D

 48 48  0     1  0  0  0  0  0999 V2000
    5.7550    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531    7.0388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.8100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.4871    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6210    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1621    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5441    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8531    7.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0105    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4090    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9637    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671    7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784    7.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    6.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7518    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9544    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090    8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2175    7.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3 48  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  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 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 39  1  0  0  0  0
 19 25  2  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
12343403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
313

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIECAAADQLBGiQ/kJcMUAChAjBnZQACgC0xF6AJyAAYMoiIaCKBmxGUIAAogAKIiCcQgMAOhAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H22Cl2N2.HNO3/c1-2-3-4-5-6-14(12-21-10-9-20-13-21)16-8-7-15(18)11-17(16)19;2-1(3)4/h7-11,13-14H,2-6,12H2,1H3;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
GVLVXDZSMFRALK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
387.1116470

> <PUBCHEM_MOLECULAR_FORMULA>
C17H23Cl2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
388.3

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

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

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
387.1116470

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
14  17  8
14  18  8
17  22  8
18  23  8
19  25  8
22  24  8
23  24  8
6  19  8
6  20  8
7  20  8
7  25  8
9  10  3

$$$$