Molecule FYI-1005913

A

Molecule Summary:

ID: FYI-1005913
Names:
InChIKey: OUYZUCACSQXEMC-WAYWQWQTSA-N
SMILES: C=CCOCC(O)COC(=O)/C=C\\C(=O)OCC(O)COCC=C

Received at FYIcenter.com on: 2023-11-20

Molecule ID: FYI-1005913 Edit

Molecule Structure InChIKey: OUYZUCACSQXEMC-WAYWQWQTSA-N

Molecule Structure SMILES String: C=CCOCC(O)COC(=O)/C=C\C(=O)OCC(O)COCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005913
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    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
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   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
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 17  1  0  0  0  0
 24  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005913-3D
FYIcenter.com

 48 47  0  0  1  0  0  0  0  0999 V2000
    3.0833    1.0323   -6.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2152    1.7039   -6.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2814    1.2517   -5.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4335    2.2588   -4.2563 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4223    1.9005   -3.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5322    3.0030   -2.2226 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2859    3.1915   -1.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5910    2.6472   -1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    2.5427   -1.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5313    3.7456   -1.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9981    4.8387   -1.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9846    3.5176   -1.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8635    4.4084   -2.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5247    5.5692   -3.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5876    5.6100   -3.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6194    6.3738   -3.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9338    6.8585   -4.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7961    5.7921   -5.2387 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1365    4.5155   -5.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1505    6.1897   -6.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8294    7.4381   -6.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1519    7.8356   -8.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8787    9.1330   -7.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1158    9.3464   -8.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    1.4259   -7.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8574    0.0910   -5.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    2.6513   -6.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2225    1.1253   -5.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    0.3006   -4.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3846    1.7579   -3.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1179    0.9585   -2.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    3.9503   -2.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8720    2.3232   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467    1.6795   -0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5672    3.3622   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3362    2.6083   -1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9287    4.2194   -2.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4837    7.7983   -4.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0243    7.0783   -5.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7106    5.6525   -4.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2333    4.6585   -5.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2374    6.2518   -7.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7848    5.4125   -7.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2303    7.9729   -8.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7648    7.0654   -8.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3458    9.9510   -7.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6922    8.5567   -8.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5914   10.3225   -8.2545 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 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1753👍, 0💬