Molecule FYI-1007695

A

Molecule Summary:

ID: FYI-1007695
Names:
InChIKey: IZTJAPNLQBARSN-UHFFFAOYSA-N
SMILES: COc6cccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)c6O

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007695 Edit

Molecule Structure InChIKey: IZTJAPNLQBARSN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc6cccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)c6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007695
FYIcenter.com

 31 36  0  0  0  0  0  0  0  0999 V2000
    2.4150    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    4.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    7.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3883    5.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1633    7.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    6.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  6 28  1  0  0  0  0
 11 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007695-3D
FYIcenter.com

 51 56  0     0  0  0  0  0  0999 V2000
   -0.2437   -2.5845    1.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    2.4147   -1.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239    4.6365    0.3172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   -0.2252   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402   -1.1460   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876   -0.9475   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    0.9941    0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -2.2533    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843   -2.0694    0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.8968   -0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225   -0.5001   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031   -1.7633   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181   -1.1894   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281   -3.0883    1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663   -2.7287    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377    2.2654    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268    0.8461    1.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2882   -2.8424    0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7732   -2.2896    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    0.1654   -1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7434    0.5950   -1.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7863   -1.5448   -0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0519   -0.7733   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.3888    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1159    1.9695    2.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9991    0.3695   -2.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9773    0.9967   -2.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0336   -0.4844   -1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1318    0.3138   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159    3.2410    2.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    5.1305    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -0.0605   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -3.9366    1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1045   -3.5109    0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -2.8233    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6114   -2.2058   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9697   -1.2981   -0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    1.8549    3.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1814    1.1938   -2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0297    1.8400   -2.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302   -0.3299   -2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0926    0.6219   -2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2841    4.1118    2.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    1.5970   -1.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5477    6.1273   -0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    4.4807   -0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2063    5.2088    0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 16  1  0  0  0  0
  2 48  1  0  0  0  0
  3 24  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 11 21  2  0  0  0  0
 12 18  1  0  0  0  0
 12 22  2  0  0  0  0
 13 19  1  0  0  0  0
 13 23  2  0  0  0  0
 14 18  2  0  0  0  0
 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 34  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 26  1  0  0  0  0
 20 38  1  0  0  0  0
 21 27  1  0  0  0  0
 21 39  1  0  0  0  0
 22 28  1  0  0  0  0
 22 40  1  0  0  0  0
 23 29  1  0  0  0  0
 23 41  1  0  0  0  0
 24 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 155👍, 0💬