Molecule FYI-1003270

A

Molecule Summary:

ID: FYI-1003270
Names:
InChIKey: GQVMTYCDJFFDMB-UHFFFAOYSA-N
SMILES: CC(=O)Oc3ccc(OC(C)=O)c(c2ncc(c1ccccc1OC(C)=O)o2)c3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003270 Edit

Molecule Structure InChIKey: GQVMTYCDJFFDMB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Oc3ccc(OC(C)=O)c(c2ncc(c1ccccc1OC(C)=O)o2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003270
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
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    6.6500    5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0404    9.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3490   11.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5734    7.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1186    2.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  4  5  1  0  0  0  0
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  6 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
  8 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003270-3D
FYIcenter.com

 46 48  0     0  0  0  0  0  0999 V2000
   -0.7742   -0.1137    0.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -2.8476    0.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    1.3222   -0.9785 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4720    2.4690    1.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8318   -2.3688   -1.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276   -0.2378   -2.5694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0446    2.8662   -1.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933   -2.2205    1.3832 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299   -0.6228    0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1698   -1.0532    0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8471    0.7206    1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6526   -2.0397    1.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8421   -1.0912    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2904   -0.2943    1.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594    0.2522    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3791    1.7376   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6459    5.2894   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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  2 24  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
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 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 27  1  0  0  0  0
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 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2427👍, 0💬