Molecule FYI-1006950

A

Molecule Summary:

ID: FYI-1006950
Names:
InChIKey: KIYUVQCUDDMZRE-UHFFFAOYSA-N
SMILES: CCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCC

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006950 Edit

Molecule Structure InChIKey: KIYUVQCUDDMZRE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006950
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    6.3223    8.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    6.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    7.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3223   10.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    9.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    8.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    9.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703    8.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   10.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    9.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703   10.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376    8.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4916    3.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9082    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    2.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703    3.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376    6.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4926    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842    6.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376    3.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  3  8  2  0  0  0  0
  4  7  2  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
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 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006950-3D
FYIcenter.com

 66 66  0  0  0  0  0  0  0  0999 V2000
    3.4562    6.8304    3.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5191    6.9416    1.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286    5.9923    1.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039    4.4756    1.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9456    3.9848    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907    2.4925    0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    2.0311    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4617    3.7040    0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7460    4.0392    1.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0694    3.3691    2.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2901    2.7804    2.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429    3.3677    2.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    3.1915    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6798    3.2098    1.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3507    3.4130    2.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6268    3.5608    3.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    3.5075    3.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5797    3.5875    4.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9517    4.3723    5.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7827    2.5080    5.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5908    2.0645    6.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2642    2.5113    7.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0429    2.0532    6.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    2.4007    6.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3159    2.1497   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2330    3.0682    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1720    3.7031    4.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 66  1  0  0  0  0
M  END
$$$$

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2024-01-31, 294👍, 0💬