Molecule FYI-1007470

A

Molecule Summary:

ID: FYI-1007470
Names:
InChIKey: ZUMZZJGDNSDLAH-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cc3c2ccc6c3ccc5c4ccccc4cc56

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007470 Edit

Molecule Structure InChIKey: ZUMZZJGDNSDLAH-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc2c(c1)cc3c2ccc6c3ccc5c4ccccc4cc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007470
FYIcenter.com

 24 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    2.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4842    2.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6386    0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7930    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9563    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8030    2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    2.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462    4.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012    3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1043    4.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1028    2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2495    2.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    3.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933    2.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5288    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6782    2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6845    3.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417    4.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 11  2  0  0  0  0
  8 12  1  0  0  0  0
  2  1  2  0  0  0  0
 13 12  1  0  0  0  0
 17 13  1  0  0  0  0
  1  4  1  0  0  0  0
 14 16  2  0  0  0  0
  7  8  2  0  0  0  0
 15 14  1  0  0  0  0
 12 15  2  0  0  0  0
 17 16  1  0  0  0  0
  5  7  1  0  0  0  0
  9  6  1  0  0  0  0
  3  2  1  0  0  0  0
 18 17  2  0  0  0  0
 20 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
  6  3  2  0  0  0  0
  9  8  1  0  0  0  0
  4  5  2  0  0  0  0
 10  9  2  0  0  0  0
  6  5  1  0  0  0  0
 11 10  1  0  0  0  0
 19 24  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007470-3D
FYIcenter.com

 38 43  0     0  0  0  0  0  0999 V2000
   -0.3832   -0.6462    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831    0.6462    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8376   -0.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377    0.5601   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    0.7510    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4921   -0.7511    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9311    0.5451    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312   -0.5451    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0952   -0.8537   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952    0.8536   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7848   -1.5166   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    1.5165   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -1.8138    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3031    1.8137    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -1.8771    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630    1.8771    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0130    1.4047    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131   -1.4046    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3593   -1.4171   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593    1.4171   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2902    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902   -0.8389   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4619   -0.5574   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4619    0.5574   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6530   -2.5863   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532    2.5863   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2047   -2.7739    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    2.7738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2223   -2.8597    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2224    2.8596    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8870    2.4816    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871   -2.4815    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5006   -2.4926   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    2.4926   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1646    1.4847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1645   -1.4845   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4667   -0.9720   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    0.9721   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 18  2  0  0  0  0
  9 11  1  0  0  0  0
  9 19  2  0  0  0  0
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

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2024-03-07, 156👍, 0💬