Molecule FYI-1014378

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A

Molecule Summary:

ID: FYI-1014378
Names:
InChIKey: RDSKEVIIJLYKSS-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(C=O)CCC(=O)OCCCC

Received at FYIcenter.com on: 2025-04-08

Molecule ID: FYI-1014378 Edit

Molecule Structure InChIKey: RDSKEVIIJLYKSS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(C=O)CCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014378
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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  2  0  0  0  0
 15 13  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
 10 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014378-3D
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    4.8285    0.0582    4.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    1.2157    3.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2043    1.5492    2.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959    2.7110    1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737    3.1626    1.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790    2.9925    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1969    2.0366   -0.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943    4.2511   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3503    4.1760   -1.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7714    5.4639   -2.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8128    6.2969   -3.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0112    7.3090   -3.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    5.6873   -2.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559    7.1443   -2.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1545    7.2745   -2.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510    6.3530   -2.5423 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4650    8.5972   -2.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4546    8.8790   -1.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7187    9.4724   -2.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6832    9.8592   -0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9768   10.4536   -1.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8121   -0.1395    4.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4521    0.2906    5.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067   -0.8511    3.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3941    2.0928    3.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414    0.9667    2.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434    0.6794    2.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8842    1.8132    3.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6480    3.5715    2.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4295    2.4550    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1579    4.4340    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5158    5.0767   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954    3.8941   -2.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0764    3.4082   -2.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7850    5.9694   -2.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4761    5.2421   -3.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7353    5.1203   -1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2466    7.6120   -1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3211    7.6988   -3.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6895    7.9958   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9966    9.6110   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4657   10.3478   -2.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1827    8.7470   -2.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9157    8.9759   -0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2012   10.5861   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5039    9.7416   -2.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6358   10.7106   -0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7856   11.3647   -2.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  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
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

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2025-04-26, 489👍, 0💬