Molecule FYI-1014804

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A

Molecule Summary:

ID: FYI-1014804
Names:
InChIKey: OQFIKFNCZGUAHE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCC(O)CN(=O)(CCO)CCO

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014804 Edit

Molecule Structure InChIKey: OQFIKFNCZGUAHE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCC(O)CN(=O)(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1014804
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    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  1  0  0  0  0
 17 16  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
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  2  0  0  0  0
 25 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014804-3D
FYIcenter.com

 68 67  0  0  1  0  0  0  0  0999 V2000
    0.9094   -0.1218    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277   -0.1098    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9661    1.3132    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    1.3237    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    2.7486    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454    2.7582    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0776    4.1818    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980    4.1774    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1484    5.5940    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    5.5566    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2471    6.9587    0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7693    6.9047    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3437    8.3094    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8733    8.2931    0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4232    9.7116    0.7515 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8777   10.3246    1.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9496    9.8396    0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7504    9.1870    1.8983 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9748    8.3882    2.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9154    8.3458    1.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5463    7.0929    0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2574    7.3789   -0.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3942   10.3020    2.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5066   10.8210    3.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3735    9.7852    4.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -1.1481    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046    0.4516   -0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    0.3129    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839   -0.5735   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -0.7151    0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6081    1.7748    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832    1.9188   -0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    0.8633   -0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8779    0.7225    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6619    3.2108    1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400    3.3513   -0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9085    2.2974   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9297    2.1557    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186    4.6426    1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6951    4.7870   -0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9534    3.7147   -0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9787    3.5673    1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7986    6.0576    1.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741    6.2038   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0114    5.0879   -0.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0383    4.9402    1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9212    7.4219    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8698    7.5826   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000    6.4272   -0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1435    6.2926    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9778    8.7746    1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9775    8.9183   -0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2393    7.8695   -0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2024    7.6272    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0558   10.3114   -0.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9867    9.6680    2.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2001   10.9043    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3506    9.4516   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4511    8.0132    2.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5418    9.0339    0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7060    6.5496    0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4153    6.4264    0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7928    6.5999   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7220   11.0938    2.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2868    9.8536    3.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5181   11.1375    3.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9844   11.6710    4.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1117    9.0054    4.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 68  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1987👍, 0💬