Molecule FYI-1006166

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A

Molecule Summary:

ID: FYI-1006166
Names:
InChIKey: DSVRCBOSZSZMRX-UHFFFAOYSA-N
SMILES: Cc2cc(O)c(c1cc(O)c(C)cc1O)cc2O

Received at FYIcenter.com on: 2023-11-29

Molecule ID: FYI-1006166 Edit

Molecule Structure InChIKey: DSVRCBOSZSZMRX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(O)c(c1cc(O)c(C)cc1O)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006166
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   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
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4248    1.4000    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
    2.4248    0.0000    0.0000 O   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
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006166-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
   -0.6644   -1.7146   -1.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644   -1.7153    1.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    1.7073    1.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    1.7080   -1.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223   -0.0162   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223   -0.0162    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3684   -0.8628   -0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684   -0.8633    0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4676    0.8451    0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677    0.8454   -0.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5053    0.0135   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    0.0133    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8590    0.8600    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590    0.8603   -0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600   -0.8480   -1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599   -0.8484    1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9938    0.0161   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9939    0.0159    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    1.5094    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    1.5100   -1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544   -1.5116   -1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544   -1.5123    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3424   -0.7031   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4555   -0.2635    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3552    1.0027   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    1.0023    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -0.7036    1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4555   -0.2634   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -1.6359   -1.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892   -1.6367    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5242    1.6201    1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5242    1.6208   -1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 29  1  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
  3 13  1  0  0  0  0
  3 31  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-08, 2043👍, 0💬