Molecule FYI-1012946

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A

Molecule Summary:

ID: FYI-1012946
Names:
InChIKey: ZCBMLFZBMBIVHP-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(CCC(=O)O)CCC(=O)CCCC

Received at FYIcenter.com on: 2024-10-31

Molecule ID: FYI-1012946 Edit

Molecule Structure InChIKey: ZCBMLFZBMBIVHP-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1012946
FYIcenter.com

 23 22  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 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   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
   12.1244    0.0000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    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 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 C   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
    0.0000    1.4000    0.0000 C   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 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012946-3D
FYIcenter.com

 54 53  0  0  0  0  0  0  0  0999 V2000
    2.3127    1.0199   -1.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438    1.7707   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901    0.8417    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6114    1.6699    1.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210    0.8835    2.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4824    0.8158    2.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2371    0.8327    1.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    0.8532    4.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121    0.9431    4.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9032    1.2525    5.6633 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249    0.2389    6.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    0.5586    8.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2231   -0.4976    9.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   -1.4687    8.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5503   -0.2622   10.3237 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3882    1.3140    5.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9954    2.4122    4.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5110    2.3789    4.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1023    1.9687    5.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2789    2.8950    3.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9298    4.3328    3.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2845    5.3219    4.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9173    6.7438    4.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638    1.7256   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043    0.4630   -0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298    0.3166   -2.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026    2.4973    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9209    2.3434   -0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4313    0.1013    0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238    0.2734    1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    2.4230    2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055    2.2148    1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4904   -0.0376    4.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    1.7521    4.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7367    1.7474    3.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697    0.0163    3.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8048   -0.7554    6.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3318    0.1829    6.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3362    1.5246    8.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8506    0.5820    8.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0891    0.5423   10.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    0.3392    5.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    1.5234    6.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6471    3.4013    5.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7302    2.2663    3.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0567    2.2265    2.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3508    2.8046    3.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8623    4.4125    3.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4731    4.6016    2.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3578    5.2689    4.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7554    5.0650    5.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4556    7.0549    3.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1738    7.4361    4.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8430    6.8310    3.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  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 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  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 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
M  END
$$$$

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2024-11-23, 858👍, 0💬