Molecule FYI-1003802

A

Molecule Summary:

ID: FYI-1003802
Names:
InChIKey: DRNWGWZLBQTVNO-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003802 Edit

Molecule Structure InChIKey: DRNWGWZLBQTVNO-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003802
FYIcenter.com

 36 36  0  0  0  0  0  0  0  0999 V2000
    0.7220   11.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   10.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    5.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    4.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220    3.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    2.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3943    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    0.7218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3943   14.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   13.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220   12.6077    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  1  0  0  0  0
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  9  8  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003802-3D
FYIcenter.com

 72 72  0  0  0  0  0  0  0  0999 V2000
   15.3588    8.0331   -6.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3222    8.8443   -7.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3634    9.6784   -8.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1077   10.6219   -9.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9438   11.1632  -11.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3738   12.1751  -12.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1918   12.5132  -13.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3228   12.9030  -15.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7004   11.6671  -15.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9836   10.5550  -14.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6277   10.2436  -13.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0594    9.1209  -13.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6099    9.0125  -13.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3827    8.5265  -12.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1121    8.9120  -11.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9078    8.0890  -10.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2576    7.3042   -9.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8990    7.3242   -9.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5408    6.4536   -8.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1871    6.5962   -8.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6599    5.5792   -7.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2807    5.7098   -8.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8046    4.8795   -7.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4423    4.9830   -7.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.5988   11.2451  -15.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1584   12.6185  -14.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
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   24.0463   11.1529  -13.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6580   10.0601  -13.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5635    9.6143  -13.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5655    9.8801  -11.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1994👍, 0💬