Molecule FYI-1007112

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A

Molecule Summary:

ID: FYI-1007112
Names:
InChIKey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
SMILES: C=CCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2024-01-31

Molecule ID: FYI-1007112 Edit

Molecule Structure InChIKey: RRAFCDWBNXTKKO-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007112
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  2  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007112-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    2.0666    1.4819    0.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579   -0.9369   -0.4101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919   -0.5156    0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471   -0.3684    0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    0.5611    0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330    0.4237    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943   -1.7296   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303   -0.7904   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -1.8670   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408    0.1086   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644    2.3700   -0.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9163    1.2627   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8600   -1.3313    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5849    0.3063    1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    1.5101    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567   -2.5758   -0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408   -2.8182   -0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -0.5407   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3175    2.8354   -0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    1.8386   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576    3.1548   -0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185   -1.8416   -0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4748    1.5427   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9234    1.9441    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1395👍, 0💬