5256746
  -OEChem-04232412562D

 52 53  0     0  0  0  0  0  0999 V2000
    2.9511    0.1323    0.0000 In  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4413    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6420   -0.8188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -0.7645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    0.7743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.1768    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.7111   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2809    1.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5772   -2.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4518    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772   -3.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494    3.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -3.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7111   -3.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4204    3.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5531    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -4.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4902    4.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5377   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   -0.3684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5756    1.2759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1141   -3.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    3.4796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3082   -3.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    3.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7532   -2.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9801   -1.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1332   -1.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6620    1.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227    1.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3554    2.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891   -1.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421   -1.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813    2.4500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958    1.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8249    1.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0911   -4.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -5.3846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3311   -4.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    4.7213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5334    5.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717    4.8078    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  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 19  2  0  0  0  0
 15 25  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  CHG  1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
5256746

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAGAAAAAAEAAAAAAAAAAQAAAAAwYAAAAAAAAAABQAAAHAAAAAAADAjBGAQzwIMAAACAAiRGQACCAAAhAgAIiAAIRIiIICLAkZGEIAhogAJIyCcQgEAOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;trichloroindigane

> <PUBCHEM_IUPAC_CAS_NAME>
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;trichloroindigane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3-bis(2,4,6-trimethylphenyl)-2<I>H</I>-imidazol-2-ide;trichloroindigane

> <PUBCHEM_IUPAC_NAME>
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;trichloroindigane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;tris(chloranyl)indigane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3-dimesityl-4-imidazolin-2-ide;trichloroindigane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H25N2.3ClH.In/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;;;/h7-13H,1-6H3;3*1H;/q-1;;;;+3/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
JPRCNULKPFRHNO-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
525.012211

> <PUBCHEM_MOLECULAR_FORMULA>
C21H25Cl3InN2-

> <PUBCHEM_MOLECULAR_WEIGHT>
526.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C(=C1)C)N2[CH-]N(C=C2)C3=C(C=C(C=C3C)C)C)C.Cl[In](Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C(=C1)C)N2[CH-]N(C=C2)C3=C(C=C(C=C3C)C)C)C.Cl[In](Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
6.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
525.012211

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  7  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  20  8
19  21  8
8  12  8
8  14  8
9  13  8
9  15  8

$$$$