Molecule FYI-1004869

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Molecule Summary:

ID: FYI-1004869
Names:
InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N
SMILES: CCCCCCCCBr

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004869 Edit

Molecule Structure InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCBr

Download SDF Download SVG Structure in 2D SDF:

FYI-1004869
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004869-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
   -5.3497    0.5197    0.0286 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0150    0.3738   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959   -0.4636   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292   -0.5175   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743    0.3793   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111    0.3160   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525   -0.4568    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402   -0.5756    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924    0.4247    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    1.0230   -0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063    1.0261    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060   -1.1130   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -1.1231    0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -1.1577   -0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005   -1.1793    0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5425    1.0613    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995    1.0061   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    0.9631   -0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4974    0.9785    0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8438   -1.0699    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966   -1.1420   -0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036   -1.2326   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7768   -1.1753    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0922    1.1015    0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9952   -0.1917    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1456    1.0278   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
M  END
$$$$

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2023-10-15, 2185👍, 0💬