Molecule FYI-1011756

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A

Molecule Summary:

ID: FYI-1011756
Names:
InChIKey: XIMADJWJJOMVID-UHFFFAOYSA-N
SMILES: OC3c1ccccc1OC(c2ccccc2)C3O

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

Molecule ID: FYI-1011756 Edit

Molecule Structure InChIKey: XIMADJWJJOMVID-UHFFFAOYSA-N

Molecule Structure SMILES String: OC3c1ccccc1OC(c2ccccc2)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011756
FYIcenter.com

 18 20  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
    2.4249    6.3000    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
 18  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011756-3D
FYIcenter.com

 32 34  0     1  0  0  0  0  0999 V2000
    0.1897    0.9885    0.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471   -1.3449   -1.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365   -2.7532   -0.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732   -1.4510   -0.0701 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5686   -0.1490    0.5711 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3773   -1.6848    0.3590 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1884   -0.4223    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520    0.8248    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431    0.0870    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5905   -0.4663    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3039    1.9948   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4389    0.7990   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999   -0.4080    1.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    0.7047    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960    1.9338   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944    1.0164   -1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3554   -0.1908    0.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7527    0.5215   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946   -2.3068    0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399   -0.2024    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4041   -1.9705    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -1.4149    0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100    2.9589   -0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227   -2.1641   -1.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7115    1.1867   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -0.9662    2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   -3.5392   -0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4242    0.6567    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787    2.8443   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1041    1.5691   -1.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1017   -0.5768    1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8081    0.6901   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1000👍, 0💬