Molecule FYI-1001253

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Molecule Summary:

ID: FYI-1001253
SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

Received at FYIcenter.com on: 2022-04-13

Molecule ID: FYI-1001253 Edit

Molecule Structure SMILES String: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001253
FYIcenter.com

 18 21  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2124    2.8000    0.0000 C   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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  2  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001253-3D
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8859    0.6905    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8849   -0.7006    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759   -1.3944   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.7048   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258   -1.3891   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012   -0.7008   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241   -1.3884   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506   -0.7048   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6716   -1.3943    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -0.7021    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8893    0.6875    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    1.3877   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543    0.7064   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2278    1.3944   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.7079   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2271    1.3938   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    0.7050   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6783    1.3898    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258    1.2321    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242   -1.2472    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -2.4815   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249   -2.4778   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238   -2.4774   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6868   -2.4816    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8187   -1.2492    0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8318    1.2286    0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7094    2.4749   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291    2.4828   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296    2.4823   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    2.4775    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 2024👍, 0💬