Molecule FYI-1002088

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A

Molecule Summary:

ID: FYI-1002088
Names:
InChIKey: ACSZAUWJTLKYSV-UHFFFAOYSA-N
SMILES: CC2C(c1ccccc1)C2c3ccccc3

Received at FYIcenter.com on: 2023-01-26

Molecule ID: FYI-1002088 Edit

Molecule Structure InChIKey: ACSZAUWJTLKYSV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2C(c1ccccc1)C2c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002088
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.8688    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107    5.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111    5.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7074    6.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9350    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    6.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006    7.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8730    8.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    7.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  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
 10 11  2  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002088-3D
FYIcenter.com

 32 34  0     1  0  0  0  0  0999 V2000
   -0.0343    1.6742   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641    0.2874   -0.6739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5504    0.5212    0.4030 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8298    2.6883    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -0.1106   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464    0.0599    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260    0.2518   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0076    0.7427    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672   -0.8477    0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079   -1.0616   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2217   -0.1229   -0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3193    0.3076    0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631   -1.2222    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5196   -1.4966   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4403   -0.8597    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5753   -0.8118   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    2.1222   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332   -0.1154   -1.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252    0.5116    1.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029    2.2903    1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330    3.1140   -0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    3.5068    0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.8254   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200    1.6161    1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484   -1.1670    1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075   -1.6320   -1.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    0.1589   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1413    0.8404    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333   -1.8010    2.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191   -2.3717   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4491   -1.1527    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965   -1.1514   -0.3268 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  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-19, 1135👍, 0💬