12343404
  -OEChem-05122407122D

 51 51  0     1  0  0  0  0  0999 V2000
    6.5380    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5185    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    4.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360    7.0388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.0185    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2700    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4040    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9451    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3270    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6360    7.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1920    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9274    6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3481    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    7.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    6.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2825    8.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840    9.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5347    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7374    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    9.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    9.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    8.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0005    7.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.2085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 25  1  0  0  0  0
  3  8  1  0  0  0  0
  3 51  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 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 21  2  0  0  0  0
  7 26  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 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  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 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 24  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 42  1  0  0  0  0
 20 26  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
12343404

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIECAAADQLBGiQ/kJcMUAChAjBnZQACgC0xF6AJyAAYMoiIaCKBmxGUIAAogAKIiCcQgMAOhAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H24Cl2N2.HNO3/c1-2-3-4-5-6-7-15(13-22-11-10-21-14-22)17-9-8-16(19)12-18(17)20;2-1(3)4/h8-12,14-15H,2-7,13H2,1H3;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
XGXFKLRNLREQEB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
401.1272971

> <PUBCHEM_MOLECULAR_FORMULA>
C18H25Cl2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
402.3

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

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

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
401.1272971

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  22  8
19  23  8
20  26  8
22  25  8
23  25  8
6  20  8
6  21  8
7  21  8
7  26  8
9  10  3

$$$$