Molecule FYI-1006585

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A

Molecule Summary:

ID: FYI-1006585
Names:
InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N
SMILES: CC(C)(c1ccc(O)cc1)c2ccc(O)cc2

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006585 Edit

Molecule Structure InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(O)cc1)c2ccc(O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006585
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   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
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006585-3D
FYIcenter.com

 33 34  0     0  0  0  0  0  0999 V2000
   -4.6727    1.7597    0.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    1.7341   -0.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -1.3899   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -0.5160    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -0.5641   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1387   -2.3587    1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268   -2.3626   -1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4471    0.3329    1.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704    0.3250   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1695   -0.6691   -0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -0.6812    0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042    1.1115    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    1.0973   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3265    0.1096   -0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3485    0.0911    0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439    0.9999    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707    0.9805   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -3.0984    1.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -1.8287    2.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -2.9165    1.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9347   -2.9802   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219   -3.0575   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.8360   -2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    0.4336    1.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    0.4367   -1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -1.3369   -1.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643   -1.3571    1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7610    1.8023    1.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926    1.7871   -1.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551    0.0196   -1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0769   -0.0041    1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6587    2.3170    0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927    2.2917   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 32  1  0  0  0  0
  2 17  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 1647👍, 0💬