Molecule FYI-1016670

A

Molecule Summary:

ID: FYI-1016670
Names:
InChIKey: FNFWASXCTRYLSV-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CC[N+](CCO)(CCC(=O)OCCCC)CCC(=O)OCCCC

Received at FYIcenter.com on: 2026-02-09

Molecule ID: FYI-1016670 Edit

Molecule Structure InChIKey: FNFWASXCTRYLSV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CC[N+](CCO)(CCC(=O)OCCCC)CCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016670
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6078    5.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7718    6.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6801    7.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    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
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    0.0000    0.0000 C   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  2  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
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016670-3D
FYIcenter.com

 75 74  0  0  0  0  0  0  0  0999 V2000
    7.4228    5.2697    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1541    4.3459   -1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2279    3.2746   -1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    2.3686   -2.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9253    1.3894   -2.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450    0.0960   -2.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153   -0.3512   -1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9281   -0.6379   -3.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620   -2.0746   -3.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9325   -2.7935   -5.1065 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4355   -4.3061   -5.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185   -4.5034   -4.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046   -3.9853   -3.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3978   -2.0650   -6.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9071   -0.6494   -6.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3855   -0.4330   -6.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1701   -0.1341   -5.8415 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7065   -0.5844   -8.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3718    0.5840   -8.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7313    0.2157   -8.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4621    1.4421   -9.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8420    1.1059   -9.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4863   -2.8728   -5.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1035   -3.4778   -6.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5951   -3.3253   -6.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2386   -3.2543   -5.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0823   -3.2385   -7.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3452   -2.5679   -7.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4348   -3.4599   -8.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7394   -2.6680   -8.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8530   -3.5637   -8.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    6.0273    0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3813    5.7844   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4386    4.7145    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0976    4.9405   -1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1765    3.8683   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3087    2.6700   -0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2154    3.7305   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8527    2.9487   -3.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9107    1.8953   -2.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.5492   -3.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927   -0.0075   -4.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726   -2.0994   -3.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8816   -2.6820   -2.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9591   -4.7914   -4.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7764   -4.7569   -6.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668   -5.5704   -5.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884   -4.0252   -5.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6514   -4.5742   -3.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3073   -2.0470   -6.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6339   -2.6996   -7.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6109    0.0891   -5.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4258   -0.2260   -7.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4591    1.3234   -7.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7549    1.0292   -9.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6382   -0.5501   -9.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2761   -0.2178   -8.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5555    2.1618   -8.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8707    1.9183  -10.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625    0.6483   -9.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3365    2.0197  -10.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7799    0.4142  -10.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8138   -3.3573   -4.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8025   -1.8688   -4.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7540   -2.9847   -7.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8729   -4.5383   -6.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6354   -2.0928   -6.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2071   -1.7834   -8.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1203   -3.8744   -9.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5711   -4.3052   -7.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0341   -2.2443   -7.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5881   -1.8287   -9.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   -4.3818   -8.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7944   -2.9904   -9.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6055   -3.9633   -9.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  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
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 31  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 370👍, 0💬