Molecule FYI-1000303

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Molecule Summary:

ID: FYI-1000303
SMILES: O=[Al]O[Al]=O.C1=CC2=CC3=CC=CC=C3C=C2C=C1

Received at FYIcenter.com on: 2021-03-31

Molecule ID: FYI-1000303 Edit

Molecule Structure SMILES String: O=[Al]O[Al]=O.C1=CC2=CC3=CC=CC=C3C=C2C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000303
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
  -11.7738    1.7740   -0.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1659    0.4148    0.0765 Al  0  0  0  0  0  0  0  0  0  0  0  0
  -10.4542   -1.1763    0.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7763   -1.2971   -0.1966 Al  0  0  0  0  0  0  0  0  0  0  0  0
   -7.3430   -1.4003   -0.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2337   -2.4152    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9393   -2.2931    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2791   -1.0551    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507   -0.8946    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.3416    0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9855    0.5395    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4108    1.7567    0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139    2.8265    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083    2.7042   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685    1.4664   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.3056   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0183    0.0697   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620   -0.1281   -0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9368   -1.3452   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7335   -3.3643    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4180   -3.1376    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062   -1.7230    1.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -0.2721    1.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3823    1.9005    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6153    3.7767   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9296    3.5486   -0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.1337   -0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9287    0.6831   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9654   -1.4890   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000303-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.8063    0.0279    2.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3985    0.0698    2.0864 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.8674    0.0269   -1.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1668    0.0375   -2.9090 Al  0  0  0  0  0  0  0  0  0  0  0  0
    4.7294    1.5620   -3.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0820   -0.7747    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760   -1.5999   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694   -0.7793   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -1.4276   -0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473   -0.6834   -0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746   -1.3718   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5787   -0.6705   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5809    0.7241   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3792    1.4290   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515    0.7478   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0401    1.4961   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    0.8557   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    1.6890   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0788    0.8726    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0078   -1.3137    0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -2.6823   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221   -2.5105   -0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3982   -2.4559   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5131   -1.2100   -0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5184    1.2620   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085    2.5128   -0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    2.5792   -0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6651    2.7704   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.4170    0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-06, 1842👍, 1💬