Molecule FYI-1014512

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A

Molecule Summary:

ID: FYI-1014512
Names:
InChIKey: QDLFCBKKECTJSK-UHFFFAOYSA-N
SMILES: O=c3ccc2ccc(OCc1ccccc1)cc2o3

Received at FYIcenter.com on: 2025-04-24

Molecule ID: FYI-1014512 Edit

Molecule Structure InChIKey: QDLFCBKKECTJSK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3ccc2ccc(OCc1ccccc1)cc2o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014512
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.4870    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    6.0622    4.2000    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  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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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 10  2  0  0  0  0
 19  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014512-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
    1.2358   -0.7694    0.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0425    1.3721    0.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0988    2.3806    0.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9165   -1.0584   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2857    0.1827    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226   -0.8587    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.5409    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    0.2992    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    0.4302    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324   -2.2141   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7382   -2.1125   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686   -1.1064   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997    0.3571    1.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658    0.4021   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0783    0.0247   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    1.3508    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3906    0.2543    1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3568    0.2993   -1.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    0.2255   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015    1.0817    0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    1.1147   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    1.3036    0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -3.1994   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1356   -3.0170   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8636   -2.0712   -0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    0.3763    2.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214    0.4565   -2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1625   -0.0031   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9453    0.1960    2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8852    0.2760   -2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.1450   -0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1902👍, 0💬