Molecule FYI-1015603

A

Molecule Summary:

ID: FYI-1015603
Names:
InChIKey: ILSMDNVBZYGMDG-UHFFFAOYSA-N
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O

Received at FYIcenter.com on: 2025-09-12

Molecule ID: FYI-1015603 Edit

Molecule Structure InChIKey: ILSMDNVBZYGMDG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015603
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   10.9119    3.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  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  7  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 12  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 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015603-3D
FYIcenter.com

 66 65  0  0  1  0  0  0  0  0999 V2000
    0.8034    0.1832   -0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283    0.1803   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820    0.4974    1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686   -1.1680   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3905   -1.2173   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557   -2.5417   -1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948   -2.5566   -1.2909 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0133   -2.3446    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158   -3.8764   -1.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5393   -3.9490   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0688   -5.2303   -2.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6078   -5.2776   -2.4686 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1869   -5.2186   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1123   -6.5437   -3.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110   -6.5604   -4.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2306   -7.7944   -5.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7698   -7.8529   -6.8507 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2665   -6.6496   -7.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2373   -9.1616   -7.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9041  -10.0061   -6.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206   -9.3572   -8.7718 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1932  -10.5532   -9.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6831  -10.4914  -10.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0452   -9.5536  -11.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9994  -11.5872  -11.6531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    1.1500   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -0.5933    0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616    0.0018   -1.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.9762   -1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5252   -0.3154    1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3104    1.4157    1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8630    0.6605    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273   -1.3310   -1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -1.9887   -0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7039   -1.0769    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069   -0.3919   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   -2.7047   -2.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486   -3.3696   -0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8722   -1.7320   -1.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   -3.1577    0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6745   -1.3984    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1050   -2.2860    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6731   -3.9598   -2.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5906   -4.7302   -1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8673   -3.9167   -0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619   -3.0802   -2.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6804   -5.2734   -3.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6641   -6.0971   -1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9839   -4.4027   -3.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000   -6.0335   -0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9495   -4.2712   -0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2788   -5.2925   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7270   -7.4377   -2.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2069   -6.5841   -3.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0947   -5.6482   -5.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6213   -6.5509   -4.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8675   -8.6882   -4.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3260   -7.8229   -5.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6712   -7.8626   -6.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3589   -6.5808   -7.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8507   -5.7116   -7.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9719   -6.7110   -8.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2464   -8.6709   -9.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521  -11.4138   -8.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2848  -10.6309   -9.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5094  -12.2600  -11.1603 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  4  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  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  9  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  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 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 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 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 59  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 1073👍, 0💬