Molecule FYI-1003682

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A

Molecule Summary:

ID: FYI-1003682
Names:
InChIKey: JVYPAIHPNBDLOO-UHFFFAOYSA-N
SMILES: NC(COCCO)OCCOCCO

Received at FYIcenter.com on: 2023-07-18

Molecule ID: FYI-1003682 Edit

Molecule Structure InChIKey: JVYPAIHPNBDLOO-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(COCCO)OCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003682
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
    1.2124    3.5000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003682-3D
FYIcenter.com

 33 32  0  0  1  0  0  0  0  0999 V2000
    1.0536   -0.0346   -0.0302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -0.0418    0.0770 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9821    1.1684    0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116    1.3091    0.9414 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7893    2.4559    1.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3091    2.5301    1.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750    2.6470    0.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256   -1.2551    0.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591   -2.4020   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -3.6628    0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026   -4.8004   -0.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   -6.0223    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7749   -7.1821   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2756   -7.0524   -1.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7318    0.8888   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809   -0.2182    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704    0.0232   -0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    1.0503    1.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    2.0890    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    2.3788    2.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4031    3.3541    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186    1.6274    2.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162    3.4008    2.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4913    1.9078    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230   -2.2879   -1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -2.5182   -0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858   -3.7455    1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2841   -3.6138    0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838   -6.1222    1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653   -6.0073    0.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -7.1861   -0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -8.1396   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0524   -6.1397   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2715👍, 0💬