Molecule FYI-1007345

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A

Molecule Summary:

ID: FYI-1007345
Names:
InChIKey: BUFVXRPOCBSOHV-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(O)CNCCNCCNCN

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007345 Edit

Molecule Structure InChIKey: BUFVXRPOCBSOHV-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(O)CNCCNCCNCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1007345
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
   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
   14.5492    1.4000    0.0000 O   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
    9.6995    1.4000    0.0000 N   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 N   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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  1  0  0  0  0
 18  3  2  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007345-3D
FYIcenter.com

 45 44  0  0  1  0  0  0  0  0999 V2000
    4.1737    5.3878    0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2962    4.7283   -0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0606    5.3824   -2.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865    3.2938   -0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8826    2.6941    0.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057    2.7571   -1.9546 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240    1.3823   -1.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7436    1.2323   -1.7868 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0982   -0.1600   -1.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5116    1.9866   -2.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9592    1.8699   -2.6874 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7134    2.5461   -3.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305    2.4024   -3.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9823    3.1029   -4.5585 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4298    2.9647   -4.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    3.7048   -5.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6504    3.6128   -5.2616 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3418    4.2918   -6.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7260    4.0722   -6.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8933    6.4346    0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3530    4.8967    1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735    6.4340   -1.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519    4.8824   -2.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9672    5.3583   -2.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9211    0.9570   -2.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6803    0.7980   -1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0423    1.6362   -0.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8888   -0.5154   -2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2253    3.0442   -2.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    1.5548   -3.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2107    0.8806   -2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4522    3.6119   -3.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4532    2.1301   -4.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4948    1.3379   -3.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4880    2.8141   -2.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7389    4.0938   -4.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7076    1.9037   -4.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7060    3.3792   -3.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9039    4.7612   -5.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9207    3.2842   -6.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9426    2.6364   -5.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1170    5.3633   -6.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1077    3.8723   -7.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8775    4.4377   -5.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2987    4.6381   -6.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  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
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1413👍, 0💬