Molecule FYI-1006591

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A

Molecule Summary:

ID: FYI-1006591
Names:
InChIKey: YJLYANLCNIKXMG-UHFFFAOYSA-N
SMILES: CCCCCCCCN(C)CCCCCCCC

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006591 Edit

Molecule Structure InChIKey: YJLYANLCNIKXMG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCN(C)CCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006591
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006591-3D
FYIcenter.com

 55 54  0     0  0  0  0  0  0999 V2000
    0.0047    2.5066   -0.2933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    1.1318   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    1.2794   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3616    2.4273    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991    1.6709    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642    1.0323    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775    0.3964    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1398   -0.2486   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2955   -0.0247   -0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5785   -0.4103    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2884   -0.8926    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2610   -1.6793   -0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4930   -1.3341   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732    3.8936   -0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6766   -1.8696    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5133   -2.1498    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3709   -3.1145   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7001   -2.6146   -0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.2491    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    1.0947   -1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6838    2.1665   -0.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206    0.7397   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959    2.5186    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581    3.2573   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920    2.1772    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150    0.7386    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0395    1.9019   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4682    1.0488    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452   -0.4981    0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4095    0.9406    1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510   -1.1168    0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1409   -0.2554   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8145    0.8709   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9577   -0.5765   -1.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1675    0.4637   -0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5744   -0.4242    1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7701   -1.7812    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6415   -0.3324    1.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6526   -2.5519    0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3005   -1.6452   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9893   -0.4481   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1411   -1.9285   -1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781    3.9832   -0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811    4.3302    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736    4.5125   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2846   -0.9924    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6358   -1.9252    1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182   -3.0284    0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8815   -1.5488    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8097   -4.0164    0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4643   -3.0749   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3754   -3.2005    0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422   -1.7603   -0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719   -3.2512   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3951   -3.1904    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 16  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 2126👍, 0💬