Molecule FYI-1003940

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A

Molecule Summary:

ID: FYI-1003940
Names:
InChIKey: UUYWMJYJFIVEQV-UHFFFAOYSA-N
SMILES: CCCOc3cccc(c2ccc1[nH]ccc1c2)c3

Received at FYIcenter.com on: 2023-08-07

Molecule ID: FYI-1003940 Edit

Molecule Structure InChIKey: UUYWMJYJFIVEQV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCOc3cccc(c2ccc1[nH]ccc1c2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003940
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8093    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7711    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  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
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003940-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.7043    1.4572   -0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8051    0.5574   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588   -0.3316   -1.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -1.1641   -0.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -1.9627   -1.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696   -2.1336   -3.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079   -2.9780   -4.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259   -3.6293   -3.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9442   -3.4584   -2.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1992   -4.0446   -1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3186   -4.3899   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5411   -4.7609    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5826   -4.9178   -0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9068   -5.2499   -0.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1650   -6.1328   -1.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5782   -5.5636   -2.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4753   -4.8292   -1.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056   -4.2715   -2.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1493   -2.6339   -1.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079    2.0931   -0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790    0.8635   -1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    2.1040   -1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201   -0.0631    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116    1.1635    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7725    0.3021   -2.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -0.9544   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8201   -1.6201   -3.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1214   -3.1093   -5.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -4.2951   -4.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4438   -4.3643    0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6139   -4.9867    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5614   -4.4767   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5953   -7.1085   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6477   -5.9263   -3.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2517   -4.1011   -3.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4195   -2.4660   -0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2531👍, 0💬