Molecule FYI-1014343

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A

Molecule Summary:

ID: FYI-1014343
Names:
InChIKey: HLBUIFOOYACQRE-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C2C3CC3C4CC4C5CC5

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014343 Edit

Molecule Structure InChIKey: HLBUIFOOYACQRE-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc2c(c1)C2C3CC3C4CC4C5CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014343
FYIcenter.com

 16 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    9.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   10.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   11.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014343-3D
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    2.5825   -0.6639   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.8790   -1.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3851   -0.0068   -0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478    1.0064    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3579    1.4233    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883    0.4615   -0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693    2.1615    0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756    3.4637    0.2472 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5337    4.1906    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    3.8005   -0.4641 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9226    2.9251   -0.8600 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2700    2.5994   -2.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1652    3.5380   -1.5318 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3134    5.0329   -1.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9783    5.5286   -3.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243    5.7975   -2.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700   -1.3442   -1.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007   -1.7057   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934   -0.0726   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    0.5532   -0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981    2.1763    1.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029    4.0846   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932    5.2335    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779    3.6315    1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5953    4.6213   -1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537    2.1332   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6749    1.6193   -2.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337    2.9942   -3.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1143    3.0961   -1.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5751    5.6094   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6617    6.3675   -3.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2361    4.8116   -3.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2289    6.8124   -2.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8093    5.2717   -3.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

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2025-04-26, 682👍, 0💬