Molecule FYI-1014203

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A

Molecule Summary:

ID: FYI-1014203
Names:
InChIKey: DYTNXIBKKKVCQV-UHFFFAOYSA-N
SMILES: CCOc2ccc(C(C)(C)c1ccc(O)cc1)cc2

Received at FYIcenter.com on: 2025-03-11

Molecule ID: FYI-1014203 Edit

Molecule Structure InChIKey: DYTNXIBKKKVCQV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc2ccc(C(C)(C)c1ccc(O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014203
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.6830    8.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4694    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2558    8.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0422    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286    8.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286    5.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0422    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    5.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7007    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    0.0000    0.0000 O   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014203-3D
FYIcenter.com

 39 40  0     0  0  0  0  0  0999 V2000
   -4.2662    0.5657    0.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    2.4652    0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9179   -1.5271   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203   -0.9464    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703   -0.4719   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0467   -2.6675    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -2.2945   -1.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -0.3012    1.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191   -1.1292   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9443    0.5814   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9810   -0.5385    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488    0.2162    1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008   -0.6118   -0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157    0.0610    0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289    1.5683   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657    0.4485    0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396    1.5020   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9776    0.9783   -0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9225    2.1014   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -3.2242    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171   -2.2856    1.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2279   -3.3925    0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -2.7124   -1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -3.1407   -1.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900   -1.6473   -2.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232   -0.1682    1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359   -1.6418   -1.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654    0.6570   -1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486   -1.3353    1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879    0.7406    2.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -0.7774   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969    2.3843   -1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510    0.3919    1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3024    1.3594   -1.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5473    0.1291   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7275    3.1145   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4935    2.4362   -1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6222    1.7760    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3683    2.9532    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  2  0  0  0  0
  9 27  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 11 16  2  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

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2025-04-11, 785👍, 0💬