Molecule FYI-1014162

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A

Molecule Summary:

ID: FYI-1014162
Names:
InChIKey: UHPXXKLAACDXGS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCC(=O)NCCO

Received at FYIcenter.com on: 2025-03-07

Molecule ID: FYI-1014162 Edit

Molecule Structure InChIKey: UHPXXKLAACDXGS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCC(=O)NCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1014162
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    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 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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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 O   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 10  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  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014162-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    0.8940   -0.0312    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.0281    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9371   -0.3386   -1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4575   -0.3347   -1.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9712   -0.6438   -2.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4897   -0.6418   -2.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014   -0.9489   -4.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199   -0.9484   -4.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0353   -1.2534   -5.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5556   -1.2547   -5.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0795   -1.5593   -6.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6051   -1.5612   -6.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1264   -1.8665   -8.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6536   -1.8799   -8.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1163   -2.1896   -9.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3433   -2.3854  -10.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4845   -2.2356  -10.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0394   -2.5418  -11.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2661   -1.2857  -12.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1921   -0.4169  -11.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    0.1919    1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5079   -1.0096   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031    0.7219   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7823   -0.7719    0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    0.9512    0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616    0.4040   -2.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687   -1.3183   -1.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387   -1.0798   -0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    0.6439   -1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5936    0.1015   -3.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5984   -1.6222   -3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8687   -1.3886   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8641    0.3358   -2.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6237   -0.2015   -4.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6263   -1.9260   -4.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8959   -1.6966   -3.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8936    0.0284   -3.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6584   -0.5040   -6.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6584   -2.2292   -5.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9277   -2.0035   -4.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9277   -0.2781   -5.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7009   -0.8106   -7.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010   -2.5345   -7.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9754   -2.3110   -6.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9756   -0.5842   -6.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7342   -1.1198   -9.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7348   -2.8386   -8.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0499   -2.6431   -7.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0507   -0.9044   -8.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1115   -2.0208   -9.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3545   -3.2166  -11.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9808   -3.0783  -11.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3321   -0.7375  -12.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6854   -1.5468  -13.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8127   -0.2455  -10.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
M  END
$$$$

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2025-04-26, 884👍, 0💬