Molecule FYI-1002284

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A

Molecule Summary:

ID: FYI-1002284
Names:
InChIKey: OGVBLMOKWOEKIO-UHFFFAOYSA-N
SMILES: COn3c1ccccc1c2cc(CO)ccc23

Received at FYIcenter.com on: 2023-02-21

Molecule ID: FYI-1002284 Edit

Molecule Structure InChIKey: OGVBLMOKWOEKIO-UHFFFAOYSA-N

Molecule Structure SMILES String: COn3c1ccccc1c2cc(CO)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002284
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.7489    4.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8120    5.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0101    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 17  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002284-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
    1.5045    2.5033    0.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7021   -1.1997    0.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    1.2247    0.2656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -0.4569   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    0.9196    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252   -0.9787   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864    0.0940    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810   -1.0314   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4450    1.7529    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145   -0.2111   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -2.2687   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1745   -0.0568    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6960    1.1604   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8644   -2.4353   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -1.3442    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650   -0.8141   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    3.1419   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765   -2.1015   -0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566    2.8213    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8407   -3.1296   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272    0.7906    0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816    1.7916   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934   -3.4277   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -1.4949    0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8539   -0.1047   -0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1174   -1.6962   -1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    2.5900   -1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1755    4.1426   -0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    3.2443   -1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294   -1.7188    1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  2 30  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$

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2023-03-17, 2969👍, 0💬