Molecule FYI-1003608

A

Molecule Summary:

ID: FYI-1003608
Names:
InChIKey: IOUBUNCWNCAYMX-UHFFFAOYSA-N
SMILES: Cc1ccc2c(c1)c(=O)c(=O)n2CC(C)Cc3ccccc3C=O

Received at FYIcenter.com on: 2023-07-11

Molecule ID: FYI-1003608 Edit

Molecule Structure InChIKey: IOUBUNCWNCAYMX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc2c(c1)c(=O)c(=O)n2CC(C)Cc3ccccc3C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003608
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.0245    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6618    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    5.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    4.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    3.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    0.5376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003608-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
   -1.8910    3.0626    3.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6800    1.8642    2.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9609    0.5601    3.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -0.5686    2.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168   -0.3810    1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850    0.9022    0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2107    2.0342    1.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    0.7906   -0.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760    1.6870   -1.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8043   -0.7062   -1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912   -1.1892   -2.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648   -1.3255    0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -2.7087    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -3.7359    0.2323 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0437   -3.6043    1.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423   -5.2025    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182   -5.5313   -1.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -5.4146   -1.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711   -5.5487   -3.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291   -5.8192   -4.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8963   -6.0132   -3.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -5.8911   -2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335   -6.1955   -2.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -6.5723   -2.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2217   -3.5131   -0.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733   -3.9074    2.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9332   -4.2330    1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8955   -5.4128    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663   -5.9000    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5321   -5.1909   -1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164   -5.4227   -3.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2649   -6.1042   -1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2950👍, 0💬