Molecule FYI-1007240

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A

Molecule Summary:

ID: FYI-1007240
Names:
InChIKey: USIUVYZYUHIAEV-UHFFFAOYSA-N
SMILES: c2ccc(Oc1ccccc1)cc2

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007240 Edit

Molecule Structure InChIKey: USIUVYZYUHIAEV-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(Oc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007240
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007240-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
   -0.0017    1.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    0.6124   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1826    0.6000    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843   -0.4794   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -0.4796    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    0.9830    0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2360    0.9833   -0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4774   -1.2004   -0.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -1.2004    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321    0.2619    0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290    0.2623   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5511   -0.8298   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -0.8296    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -0.7766   -1.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684   -0.7736    1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523    1.8323    1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    1.8328   -1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722   -2.0471   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692   -2.0472    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2684    0.5505    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2652    0.5511   -1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4805   -1.3903   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4774   -1.3900    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  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 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2024-02-18, 161👍, 0💬