Molecule FYI-1003564

A

Molecule Summary:

ID: FYI-1003564
Names:
InChIKey: BGXJFUIIGKUARE-UHFFFAOYSA-N
SMILES: C5=CCC14C=C3CCCC[C+]2(=CC=C1C=C2)C3=CC4=C5

Received at FYIcenter.com on: 2023-07-03

Molecule ID: FYI-1003564 Edit

Molecule Structure InChIKey: BGXJFUIIGKUARE-UHFFFAOYSA-N

Molecule Structure SMILES String: C5=CCC14C=C3CCCC[C+]2(=CC=C1C=C2)C3=CC4=C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003564
FYIcenter.com

 20 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858    0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9728    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    2.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    2.8342    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  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
  5 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 20  1  0  0  0  0
 14  9  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003564-3D
FYIcenter.com

 39 43  0  0  1  0  0  0  0  0999 V2000
    5.5906   -6.0130   -2.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8399   -5.2131   -3.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7349   -3.9716   -3.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4521   -3.2336   -2.1724 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2533   -2.2638   -2.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6024   -1.8644   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7021   -0.6917   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718   -0.6491    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9943   -0.1967    1.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984   -0.9683    1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1814   -1.5312    0.7430 C   0  3  0  0  0  0  0  0  0  0  0  0
    7.3246   -2.3327    0.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0705   -2.8113   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7131   -2.3408   -1.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4403   -0.9707   -1.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -0.5515   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294   -2.4312   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2571   -3.7761    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9497   -4.3207   -1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1307   -5.6382   -1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941   -6.8462   -2.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3152   -5.3837   -4.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   -3.3082   -4.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816   -4.2865   -3.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1089   -1.7866   -3.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9093   -0.7275   -1.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2525    0.2425   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114   -1.6192    0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396    0.0649    0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.1798    2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2714    0.8465    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537   -1.8337    2.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901   -0.3381    2.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5415   -2.7275    1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7791   -3.6235   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658   -0.2704   -2.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4377    0.4990   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5518   -4.2733    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1874   -5.9365   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  3  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  3  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1510👍, 0💬