Molecule FYI-1003784

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A

Molecule Summary:

ID: FYI-1003784
Names:
InChIKey: BOLCETHKTFCPEK-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003784 Edit

Molecule Structure InChIKey: BOLCETHKTFCPEK-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003784
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.8604   10.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    8.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    3.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3839    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5963    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3202    5.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0291    8.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6367   11.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3839   12.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   13.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601   13.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   13.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   12.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   12.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834   11.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003784-3D
FYIcenter.com

 60 60  0  0  0  0  0  0  0  0999 V2000
   13.3298   -8.8617    2.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7660  -10.2049    1.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6061  -10.9218    2.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0263  -12.1184    1.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7361  -12.9251    1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2232  -13.5249    0.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9560  -15.0572    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1899  -16.0565   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2305  -15.3629   -0.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3097  -13.9785   -1.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9893  -13.4906   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9078  -12.0890   -1.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5274  -11.7496   -1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4222  -10.3370   -0.9639 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1377   -9.8908   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934   -8.8428   -1.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4025   -7.8421   -1.2656 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0689   -8.2820   -1.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585   -7.2528   -2.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4582   -6.6914   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7362   -5.3014   -0.8238 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4319   -8.2850    1.6557 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8336   -7.8683    1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1322  -10.1008    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2333  -12.7294    2.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4978  -15.5936    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
$$$$

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2023-08-09, 598👍, 0💬