Molecule FYI-1011754

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A

Molecule Summary:

ID: FYI-1011754
Names:
InChIKey: YTMFRMLVZQOBDR-UHFFFAOYSA-N
SMILES: OC3CC(c1ccccc1)Oc2ccccc23

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011754 Edit

Molecule Structure InChIKey: YTMFRMLVZQOBDR-UHFFFAOYSA-N

Molecule Structure SMILES String: OC3CC(c1ccccc1)Oc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1011754
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    7.2746    4.9000    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
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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  4  1  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 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011754-3D
FYIcenter.com

 31 33  0     1  0  0  0  0  0999 V2000
    0.2088   -0.8242   -0.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4787    2.6467   -0.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5435    0.3998   -0.2910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0869    1.3554    0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.7319    0.5906 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1858    0.5117    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.6757   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115    0.0564   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    0.5534    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337   -1.8083   -0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.0466    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769    0.8433   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485   -0.5751    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -1.7561   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476   -1.3631    0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288    0.5269   -0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7140   -0.5763    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3967    0.8549   -1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116    2.2566    0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    0.8599    1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    2.2236    1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0865    1.4660    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8544   -2.7340   -0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6640   -1.6676    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892    1.7064   -1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    2.8891   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310   -0.5335    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175   -2.6359   -0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480   -2.2202    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0814    1.1399   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665   -0.8222    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1135👍, 0💬