Molecule FYI-1012671

A

Molecule Summary:

ID: FYI-1012671
Names:
InChIKey: FLUXRAJMHRKKMJ-UHFFFAOYSA-N
SMILES: CC3(C)COC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(cc2)C(=O)OC3

Received at FYIcenter.com on: 2024-10-08

Molecule ID: FYI-1012671 Edit

Molecule Structure InChIKey: FLUXRAJMHRKKMJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3(C)COC(=O)c1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(cc2)C(=O)OC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012671
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    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
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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 21 22  2  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 12  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012671-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
    0.5072    0.2623    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -0.1046    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6572   -0.9420    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -0.8595    2.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -1.8107    2.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400   -1.9689    3.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -2.9887    2.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216   -0.9391    3.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170   -0.7228    3.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2632    0.2033    4.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5231    0.9217    5.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2519    1.7669    7.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893    3.2870    6.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205    3.5628    5.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3585    4.9944    5.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3267    6.3544    4.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396    7.4687    4.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    5.1832    3.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    5.4385    2.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 36  1  0  0  0  0
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  3 38  1  0  0  0  0
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  4 40  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
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 25 26  1  0  0  0  0
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 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$

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2024-11-23, 176👍, 0💬