Molecule FYI-1006521

A

Molecule Summary:

ID: FYI-1006521
Names:
InChIKey: KGRVJHAUYBGFFP-UHFFFAOYSA-N
SMILES: Cc2cc(Cc1cc(C)cc(C(C)(C)C)c1O)c(O)c(C(C)(C)C)c2

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006521 Edit

Molecule Structure InChIKey: KGRVJHAUYBGFFP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(Cc1cc(C)cc(C(C)(C)C)c1O)c(O)c(C(C)(C)C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006521
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.9627    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9627    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7503    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7503    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1752    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3876    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7503    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6095    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8152    3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2264    4.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9787    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7545    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6509    0.0000 C   0  0  0  0  0  0  0  0  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
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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  8 13  1  0  0  0  0
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  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
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 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006521-3D
FYIcenter.com

 57 58  0     0  0  0  0  0  0999 V2000
   -1.2101    1.8096    0.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992   -1.7898    0.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4868    1.1656   -1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4868   -1.1866   -1.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    0.1753   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733   -0.2063   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    0.0338    2.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.3342    1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.3856    1.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619    0.5712    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501   -0.5479    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034    0.5098   -1.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4433    1.5588   -2.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9835    2.4732   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.5844   -1.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4730   -1.6431   -2.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4370    1.0635   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8909   -1.9615    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    1.9920    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -1.6006    1.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538    1.6505    1.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4797    3.3497    0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2877    0.8634    2.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9184    2.1211   -3.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1578   -1.3176   -2.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8387   -2.0668    1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 56  1  0  0  0  0
  2 11  1  0  0  0  0
  2 57  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  2  0  0  0  0
  6 11  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
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  8 22  1  0  0  0  0
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 12 28  1  0  0  0  0
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 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$

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2024-01-10, 838👍, 0💬