Molecule FYI-1002979

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A

Molecule Summary:

ID: FYI-1002979
Names:
InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
SMILES: Cc1cc(C)cc(C)c1

Received at FYIcenter.com on: 2023-05-03

Molecule ID: FYI-1002979 Edit

Molecule Structure InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)cc(C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002979
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002979-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
   -0.0863   -1.3922   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488    0.6213   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624    0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.7709   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2488   -0.6213   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1787   -2.8804    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5842    1.2855    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4056    1.5948    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0689   -1.3718    0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2225   -1.1056    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    2.4777    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820   -3.2210   -0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753   -3.3300   -0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2015   -3.2546    1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    1.4511    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3299    0.6741   -0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5460    2.2506   -0.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200    1.0816   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213    1.7981    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476    2.5492   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2739👍, 0💬