Molecule FYI-1007687

A

Molecule Summary:

ID: FYI-1007687
Names:
InChIKey: CWBIBLZGRURKTR-UHFFFAOYSA-N
SMILES: CC(C)c6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007687 Edit

Molecule Structure InChIKey: CWBIBLZGRURKTR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007687
FYIcenter.com

 31 36  0  0  0  0  0  0  0  0999 V2000
    2.4150    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    4.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2449    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    7.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    8.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    9.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    9.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  6 28  1  0  0  0  0
 11 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007687-3D
FYIcenter.com

 55 60  0     0  0  0  0  0  0999 V2000
    0.0028   -3.5253    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.7578    0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -1.4556    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666   -1.4575    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.6859    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795   -2.8164   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1748   -2.8182   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -0.7962    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5329   -0.8002    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733   -1.5511   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6705   -1.5567   -0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.6749    1.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013    1.0258   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -3.5424   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3012   -3.5457   -0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    3.3658   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440   -2.9133   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5390   -2.9184   -0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048    4.8022   -0.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    0.5772    0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7397    0.5726    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    3.0184    1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029    2.3693   -1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9351   -0.9396   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9332   -0.9472   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0982    0.4129    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
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  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  2  0  0  0  0
  9 11  1  0  0  0  0
  9 21  2  0  0  0  0
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 18 38  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 39  1  0  0  0  0
 20 26  1  0  0  0  0
 20 42  1  0  0  0  0
 21 27  1  0  0  0  0
 21 43  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  1  0  0  0  0
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 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 189👍, 0💬