Molecule FYI-1004344

A

Molecule Summary:

ID: FYI-1004344
Names:
InChIKey: FIUMLEDCMMFQTA-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCNC(=O)OCCOC(=O)NCOC(=O)C(=C)C

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004344 Edit

Molecule Structure InChIKey: FIUMLEDCMMFQTA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCNC(=O)OCCOC(=O)NCOC(=O)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004344
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    3.5000    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
   14.5492    1.4000    0.0000 N   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
   16.9742    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   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 O   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 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
    2.4249    0.0000    0.0000 O   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
  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  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  2  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 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  2  0  0  0  0
 24 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004344-3D
FYIcenter.com

 44 43  0  0  0  0  0  0  0  0999 V2000
    3.0851    1.0355   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    1.1220    0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0398    1.0436    2.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2203    1.2999    0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8543    1.3743   -0.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7547    1.3426    2.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1704    1.5423    2.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125    0.2675    1.9939 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7562   -0.1652    2.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2261    0.4885    3.7830 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0766   -1.4496    2.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9604   -2.0918    3.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4160   -1.8683    3.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7019   -2.4925    1.8597 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1070   -3.7834    1.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589   -4.4549    2.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4710   -4.1988    0.6883 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0849   -5.4676    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2944   -5.2488   -0.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1469   -5.1628   -1.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0770   -5.2167   -2.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4508   -4.9634   -2.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6242   -4.9075   -1.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4002   -4.8210   -3.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100    0.9048   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073    1.0926   -1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585    0.9047    2.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    1.9654    2.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081    0.1978    2.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.0168    3.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204    2.2031    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -0.3266    1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7118   -3.1575    3.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7716   -1.7324    4.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0912   -2.2430    3.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6261   -0.8017    3.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2817   -3.5802   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3836   -6.1157   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3469   -5.9642    1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7011   -5.0033   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5554   -4.7588   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3857   -4.8967   -4.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9965   -5.6054   -4.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7963   -3.8459   -4.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  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 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

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2023-09-07, 3177👍, 0💬