Molecule FYI-1005921

A

Molecule Summary:

ID: FYI-1005921
Names:
InChIKey: FQFYNHBRDVTSLE-UHFFFAOYSA-N
SMILES: O=C1CCC(=O)OCCCCOC(=O)CCC(=O)OCCCCO1

Received at FYIcenter.com on: 2023-11-21

Molecule ID: FYI-1005921 Edit

Molecule Structure InChIKey: FQFYNHBRDVTSLE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCC(=O)OCCCCOC(=O)CCC(=O)OCCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005921
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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  2  0  0  0  0
  7  5  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  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  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  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
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005921-3D
FYIcenter.com

 48 48  0     0  0  0  0  0  0999 V2000
    0.7688    1.7952   -0.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    0.7824   -0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605   -0.4707   -0.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9263   -2.1900    0.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093    2.5763   -0.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480   -1.1950    1.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0018    0.9466    1.9362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -2.1763   -1.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2865    1.7149   -1.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1013    2.4634   -0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785   -2.0600   -1.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025   -2.0362   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1857    2.1163   -1.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5982    2.1864   -0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8765   -1.8110   -0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136   -2.2959   -0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5697    1.6986    1.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970    1.1640    1.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516   -1.1789    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0812   -1.9828    1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    2.0747   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0193   -0.3073    1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0697    0.3030    0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433   -2.1177   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2474   -1.2879   -2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246   -2.7833    0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -1.0687    0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143    1.5645   -2.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    3.1919   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1637    2.7651    0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1405   -2.5622   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126   -1.8854   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2219   -1.5574   -1.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477   -3.3040   -1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110    2.6068    1.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4307    1.2690    2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6612    1.7053    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0810   -1.3895    1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8446   -1.4331   -0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372   -2.9982    1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818   -1.5145    1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5 21  2  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8 24  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  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 21  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 24  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 403👍, 0💬