Molecule FYI-1016067

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A

Molecule Summary:

ID: FYI-1016067
Names:
InChIKey: QLRAFAWXFJKHMT-UHFFFAOYSA-N
SMILES: O=C(CCCCO)OCCCCOC(=O)CCCCCO

Received at FYIcenter.com on: 2025-11-12

Molecule ID: FYI-1016067 Edit

Molecule Structure InChIKey: QLRAFAWXFJKHMT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCO)OCCCCOC(=O)CCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016067
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
    4.2642    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3214    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3633    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4433    2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6079    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7819    1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8804    2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9470    1.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0655    2.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9456    4.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3439    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7062    2.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0518    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2520    2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9739    1.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0415    2.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860    2.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016067-3D
FYIcenter.com

 49 48  0  0  0  0  0  0  0  0999 V2000
    3.1146    2.7243   -0.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215    2.2299   -0.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    2.6958   -2.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751    4.1631   -2.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    4.4599   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    3.7944   -1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0494    4.1810   -2.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    1.2072   -0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439    0.7151    0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669    1.5588    2.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3941    1.5625    2.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    2.4308    3.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3776    2.4201    3.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9276    3.3853    2.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3011    4.2499    1.7994 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292    3.2503    2.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177    2.1333    1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4833    2.3271   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0742    1.2730   -0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6465    1.4861   -2.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2427    1.3074   -2.6069 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    2.5573   -2.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6111    2.0582   -2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    4.7782   -1.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5075    4.4916   -3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417    4.1648   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    5.5375   -1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5140    2.7044   -1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3452    4.1088   -0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8806    3.4260   -3.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6950   -0.3166    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469    0.6767    0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4651    1.1660    2.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5128    2.5905    1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8046    1.9129    1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7686    0.5374    2.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    2.0151    4.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    3.4516    3.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7997    3.0827    3.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8394    4.2135    2.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5503    1.1635    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128    2.1006    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7692    3.3268   -0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941    2.2508   -0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    0.2812   -0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1680    1.3005   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1508    0.7649   -3.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.4912   -2.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0122    0.4534   -2.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  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 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
$$$$

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2026-04-13, 338👍, 0💬