Molecule FYI-1006644

A

Molecule Summary:

ID: FYI-1006644
Names:
InChIKey: HLSUQENPAUVYHA-UHFFFAOYSA-N
SMILES: O=C(C=Cc1ccccc1)C(=Cc2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2024-01-08

Molecule ID: FYI-1006644 Edit

Molecule Structure InChIKey: HLSUQENPAUVYHA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(C=Cc1ccccc1)C(=Cc2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006644
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    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
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    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
    3.6373    0.7000    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  8  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  2  0  0  0  0
  4 24  1  0  0  0  0
  5 17  2  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  2  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  9 22  2  3  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  2  3  0  0  0
 12 21  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006644-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -0.5497    0.2656   -2.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962    0.0766   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -1.0473    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0019    1.2771    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    2.4456    0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5551   -0.0348   -0.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4939   -1.1522    1.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -1.9711   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.5217   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189    2.6232    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854    3.3506   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976   -1.0848   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883   -2.2138    1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -3.0327   -0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -0.6321   -0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5171   -3.1540    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239    3.7311    1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4426    4.4586   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620    4.6488    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954   -1.8258    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -0.7786   -0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.2605    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5089   -1.2134   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5067   -1.9543    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8909    1.4750    1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4036   -0.4555    2.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2794   -1.8972   -1.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5740   -0.7551    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    1.9159    2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0643    3.2139   -1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9803   -2.3121    2.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8534   -3.7642   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -0.3575   -1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2126   -3.9812    0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    3.8790    1.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684    5.1731   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183    5.5114    0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805   -2.1057    1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3262   -0.2011   -1.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987   -2.8415    2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4487   -0.9750   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4446   -2.2937    1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  3  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  2  0  0  0  0
  8 27  1  0  0  0  0
  9 15  2  3  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 11 18  2  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 1548👍, 0💬