Molecule FYI-1016406

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Molecule Summary:

ID: FYI-1016406
Names:
InChIKey: RZSGDMLCPRTHRE-UHFFFAOYSA-N
SMILES: CCCCCCCC[N+](O)(CCO)CCO

Received at FYIcenter.com on: 2025-12-23

Molecule ID: FYI-1016406 Edit

Molecule Structure InChIKey: RZSGDMLCPRTHRE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC[N+](O)(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016406
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   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  3  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
  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  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016406-3D
FYIcenter.com

 44 43  0  0  0  0  0  0  0  0999 V2000
    0.8891   -0.6392   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942   -0.5508   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    0.4336   -1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    0.5510   -1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    1.5542   -2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5751    1.6923   -1.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    2.7397   -2.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5764    2.9072   -2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    3.8802   -3.9985 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.6533    3.3589   -5.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    5.3225   -3.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9176    6.2990   -4.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    5.7537   -6.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6334    3.9030   -3.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3130    2.5770   -4.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7237    2.7732   -4.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -1.3565    0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149   -0.9779   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173    0.3364   -0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369   -1.5406   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -0.2320    0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    1.4249   -1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7364    0.1144   -2.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9670   -0.4352   -1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655    0.8631   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862    2.5226   -1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7846    1.2293   -3.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542    0.7282   -2.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8538    1.9890   -0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5569    3.6840   -2.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7438    2.4540   -3.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479    1.9386   -3.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9061    3.2934   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1094    4.0663   -5.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9135    5.6566   -2.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535    5.2431   -3.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0033    6.4874   -4.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4226    7.2577   -4.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192    6.3037   -6.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9465    4.2555   -2.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9603    4.6444   -4.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0429    2.2341   -5.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0736    1.7879   -3.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0904    2.7017   -5.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
M  END
$$$$

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2026-01-24, 489👍, 0💬