Molecule FYI-1005367

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A

Molecule Summary:

ID: FYI-1005367
Names:
InChIKey: JOIUZBTWMAYEQW-UHFFFAOYSA-N
SMILES: NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O

Received at FYIcenter.com on: 2023-10-26

Molecule ID: FYI-1005367 Edit

Molecule Structure InChIKey: JOIUZBTWMAYEQW-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005367
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   25.4611    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.9741    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  2  0  0  0  0
 12 10  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  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005367-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    1.6363    2.4889    3.4419 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    3.1274    3.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9325    2.0699    2.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2459    2.7218    2.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3005    1.6627    1.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6320    2.2763    1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2084    3.1564    2.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4242    4.3642    2.4584 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589    2.5303    3.8288 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9821    3.2899    4.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076    3.3084    4.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0320    4.1248    6.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5581    4.1381    6.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1302    4.9405    7.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512    4.9135    7.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3099    4.4560    8.2451 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2269    5.4574    6.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6719    5.4696    6.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1713    6.6351    5.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7773    7.9808    5.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2858    9.1420    4.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9120   10.5077    5.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4467   11.6108    4.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0781   11.4304    3.6292 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1550   12.8531    5.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9530    3.2041    3.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    1.9424    4.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356    3.7858    3.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915    3.7464    2.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704    1.4109    1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1098    1.4401    3.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    3.3802    3.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0742    3.3499    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9291    1.0063    1.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546    1.0305    2.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4962    2.8742    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3527    1.4876    1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2607    1.5437    3.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5899    2.8497    5.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    4.3139    4.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917    3.7316    4.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    2.2808    5.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6537    3.6966    7.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6539    5.1524    6.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9220    4.5552    5.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323    3.1090    6.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7904    4.5226    8.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7912    5.9839    7.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6446    5.8128    5.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9732    4.5175    5.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1238    5.5155    7.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7647    6.5605    4.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2636    6.5768    5.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1889    8.0513    6.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6872    8.0408    5.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8774    9.0557    3.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3765    9.0719    4.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3439   10.6168    6.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8224   10.5994    5.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6457   12.8835    5.9299 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
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
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 11 12  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 60  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1230👍, 0💬