Molecule FYI-1006196

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A

Molecule Summary:

ID: FYI-1006196
Names:
InChIKey: CMWYOMQKNDVFMD-UHFFFAOYSA-N
SMILES: c1ccccc1.CCCCC

Received at FYIcenter.com on: 2023-11-30

Molecule ID: FYI-1006196 Edit

Molecule Structure InChIKey: CMWYOMQKNDVFMD-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1.CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006196
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4561    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4561    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3515    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006196-3D
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
    0.6670   -0.5344    1.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910   -1.4967    1.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -1.1076    0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    0.2430    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    1.2058    1.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264    0.8168    1.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844    0.0527   -1.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    0.1242   -1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452    1.5387   -1.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7611    1.6044   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3327    3.0095   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121   -0.8361    2.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842   -2.5474    1.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585   -1.8563    0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    0.5465    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368    2.2588    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0076    1.5674    2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -0.9313   -1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247    0.2166   -2.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235    0.8117   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4326   -0.5796   -1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7396   -0.1957   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    2.2307   -0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531    1.8689   -2.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    0.9069   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7548    1.3001    0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3416    3.3457   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3615    3.0314   -0.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427    3.7219   -0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 1876👍, 0💬