Molecule FYI-1001056

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Molecule Summary:

ID: FYI-1001056
SMILES: C=C.C=CC=C.O=C1OC(=O)C=C1.C=Cc2ccccc2

Received at FYIcenter.com on: 2021-11-19

Molecule ID: FYI-1001056 Edit

Molecule Structure SMILES String: C=C.C=CC=C.O=C1OC(=O)C=C1.C=Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001056
FYIcenter.com

 21 19  0  0  0  0  0  0  0  0999 V2000
   10.7666    3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5234    4.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5035    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035    7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6035    6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0034    6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    3.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833    4.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    5.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    5.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305    4.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5585    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4584    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8371    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7370    1.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2582    3.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8794    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9796    2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  8  7  2  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 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001056-3D
FYIcenter.com

 41 39  0  0  0  0  0  0  0  0999 V2000
    2.9486    1.2764    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    1.2615    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638   -0.9679   -2.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7674   -0.7101   -2.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271    0.5262   -2.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    1.4479   -3.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758   -1.4274    0.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6409   -0.6375   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141   -0.9557   -0.3917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453    0.1711   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8314    0.2569   -0.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7722    1.2996   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626    0.8070    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226   -0.5142    2.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546   -0.4557    2.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856   -1.5272    2.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531   -2.6047    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349   -3.5024    1.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0607   -3.3394    1.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4069   -2.2760    2.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -1.3796    2.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    2.1901   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    0.3374    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    2.1683    0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    0.3224    0.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0585   -1.9135   -2.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -0.2531   -3.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893   -1.4508   -2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3704    0.7048   -2.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    1.3290   -4.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5535    2.3554   -3.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005    2.3232   -0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.3522    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    0.3822    3.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2559   -1.4181    2.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294    0.5054    3.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361   -2.7525    1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631   -4.3199    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8229   -4.0337    1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408   -2.1279    2.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7265   -0.5356    3.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1520👍, 0💬