
 MLS001219965

 58 59  0  0  0  0  0  0  0  0999 V2000
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    9.0492   -8.1491   -9.1090 C   0  0  0  0  0
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    7.2264   -9.1932   -6.0494 O   0  0  0  0  0
    6.5188   -8.0072   -5.7126 C   0  0  0  0  0
    7.3923   -6.8066   -5.3384 C   0  0  0  0  0
    7.1477   -5.6606   -5.7146 O   0  0  0  0  0
    8.4587   -7.1155   -4.5182 N   0  0  0  0  0
    9.4132   -6.1211   -4.2907 N   0  0  0  0  0
   10.3913   -6.3351   -3.3397 C   0  0  0  0  0
   10.5221   -7.3963   -2.7371 O   0  0  0  0  0
   11.2744   -5.1189   -3.1357 C   0  0  0  0  0
   12.3662   -5.3507   -2.0924 C   0  0  0  0  0
   13.2343   -4.1005   -1.9137 C   0  0  0  0  0
   14.2516   -4.2463   -0.7824 C   0  0  0  0  0
   15.3965   -5.1878   -1.1033 C   0  0  0  0  0
   15.6405   -5.6222   -2.2252 O   0  0  0  0  0
   16.1599   -5.4914    0.0069 N   0  0  0  0  0
   17.2974   -6.2811   -0.1583 N   0  0  0  0  0
   18.1978   -6.3770    0.8864 C   0  0  0  0  0
   18.1067   -5.7019    1.9107 O   0  0  0  0  0
   19.3434   -7.3396    0.6101 C   0  0  0  0  0
   18.7685   -8.6154    0.3328 O   0  0  0  0  0
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   19.5643  -10.8226    0.3973 C   0  0  0  0  0
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   21.2664  -10.3506   -1.7558 C   0  0  0  0  0
   20.4835   -9.3118   -1.2454 C   0  0  0  0  0
   10.8138   -9.1156   -9.8792 H   0  0  0  0  0
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    7.3065   -7.3754   -8.1558 H   0  0  0  0  0
    9.0747  -10.8901   -6.3773 H   0  0  0  0  0
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    5.8230   -7.7319   -6.5133 H   0  0  0  0  0
    8.7531   -8.0803   -4.3618 H   0  0  0  0  0
    9.2307   -5.2097   -4.7094 H   0  0  0  0  0
   10.6343   -4.2854   -2.8227 H   0  0  0  0  0
   11.7281   -4.8589   -4.0994 H   0  0  0  0  0
   12.9877   -6.2019   -2.3948 H   0  0  0  0  0
   11.9052   -5.6222   -1.1347 H   0  0  0  0  0
   12.5844   -3.2478   -1.6807 H   0  0  0  0  0
   13.7431   -3.8647   -2.8563 H   0  0  0  0  0
   13.7512   -4.5843    0.1324 H   0  0  0  0  0
   14.6939   -3.2637   -0.5777 H   0  0  0  0  0
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   21.9134  -10.1716   -2.6109 H   0  0  0  0  0
   20.5194   -8.3468   -1.7394 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
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  4  7  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6 37  1  0  0  0
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  8  9  1  0  0  0
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  8 39  1  0  0  0
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  9 10  2  0  0  0
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 32 58  1  0  0  0
M  END

>  <Chemical Name>
MLS001219965

>  <PubChem CID>
3113773

>  <Formula>
C22H26N4O6

>  <Molecular Weight>
442.472000

>  <IUPAC Name>
1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)

>  <InChI Key>
JRJOEGZZOWPWDI-UHFFFAOYSA-N

