Molecule FYI-1004328

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Molecule Summary:

ID: FYI-1004328
Names:
InChIKey: GOPBXSCNRUABTG-UHFFFAOYSA-N
SMILES: SCCCCCl

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004328 Edit

Molecule Structure InChIKey: GOPBXSCNRUABTG-UHFFFAOYSA-N

Molecule Structure SMILES String: SCCCCCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004328
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004328-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
   -2.5606   -1.1233    0.2286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1197   -0.6604   -0.1607 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   -0.0536   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    0.8972    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739    0.4634    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615    0.4769   -0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608   -0.1476   -1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -1.0523    0.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610    0.9690    1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774    1.9044   -0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    0.5490    1.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    1.4526   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0395    0.4335   -1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8316    1.1944   -0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747   -1.7295    0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2170👍, 0💬