Molecule FYI-1011366

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A

Molecule Summary:

ID: FYI-1011366
Names:
InChIKey: ISFXTGOWPQRBFR-UHFFFAOYSA-N
SMILES: Oc3ccc(Cc2ccc(Oc1ccccc1)cc2)cc3

Received at FYIcenter.com on: 2024-08-05

Molecule ID: FYI-1011366 Edit

Molecule Structure InChIKey: ISFXTGOWPQRBFR-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc(Cc2ccc(Oc1ccccc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011366
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011366-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    3.1360   -1.3122   -0.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4438    2.7225   -0.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877   -1.8787    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.7266    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1957   -0.6627    0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831   -1.0412    1.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775   -2.2727   -0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091   -1.4475   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1817    0.4211    1.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9651   -0.6088   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765   -0.9016    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9821   -2.1331   -1.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9374    1.5585    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7210    0.5286   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7071    1.6122   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7081   -0.0654   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549    1.0791   -0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377    0.0459    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    2.3349   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5140    1.3017    0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    2.4461    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -2.1465    1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -2.7466    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4751   -0.6272    2.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   -2.8073   -1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019    0.3930    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9836   -1.4448   -1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018   -0.3859    1.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914   -2.5599   -2.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9252    2.3983    1.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3158    0.5583   -2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071    1.0198   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4507   -0.8422    0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    3.2257   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4714    1.3884    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3101    3.4237    0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9129    2.5872   -1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  2  0  0  0  0
  7 25  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1430👍, 0💬