Molecule FYI-1014065

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A

Molecule Summary:

ID: FYI-1014065
Names:
InChIKey: PPTXVXKCQZKFBN-UHFFFAOYSA-N
SMILES: Oc2ccc1ccccc1c2c3c(O)ccc4ccccc34

Received at FYIcenter.com on: 2025-02-26

Molecule ID: FYI-1014065 Edit

Molecule Structure InChIKey: PPTXVXKCQZKFBN-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2ccc1ccccc1c2c3c(O)ccc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014065
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  2  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014065-3D
FYIcenter.com

 36 39  0     0  0  0  0  0  0999 V2000
   -0.0325   -2.2991    1.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -2.2992   -1.8346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -0.5974    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711   -0.5974   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    0.2491   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766    0.2491    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    0.2107    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9641    0.2106   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314   -1.4692    1.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314   -1.4693   -1.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325    1.1330   -1.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    1.1330    1.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083   -0.6731    1.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.6732   -1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -1.5071    1.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1975   -1.5071   -1.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    1.0572   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9695    1.0573    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431    1.9669   -1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4432    1.9670    1.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094    1.9291   -1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093    1.9292    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631    1.2037   -1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630    1.2037    1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1905   -0.7192    1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1906   -0.7194   -1.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152   -2.1809    2.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4152   -2.1810   -2.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9666    1.0446    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9666    1.0447   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    2.6462   -2.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417    2.6464    2.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958    2.5786   -1.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4956    2.5788    1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396   -2.8236    2.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -2.8239   -2.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 35  1  0  0  0  0
  2 10  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  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 17  2  0  0  0  0
  8 14  1  0  0  0  0
  8 18  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 11 23  1  0  0  0  0
 12 20  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

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2025-03-12, 940👍, 0💬