Molecule FYI-1002758

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A

Molecule Summary:

ID: FYI-1002758
Names:
InChIKey: BKIMMITUMNQMOS-UHFFFAOYSA-N
SMILES: CCCCCCCCC

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002758 Edit

Molecule Structure InChIKey: BKIMMITUMNQMOS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002758
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.6995    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
    7.2747    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
    4.8497    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
    2.4249    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 C   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  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002758-3D
FYIcenter.com

 29 28  0     0  0  0  0  0  0999 V2000
    0.0054    0.3734   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2542   -0.4959   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2725   -0.4828   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204    0.3636   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    0.3861    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -0.4572    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7972   -0.4700    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0715    0.3935    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0513    0.3894    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    1.0027   -0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0054    1.0461    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571   -1.1559   -0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506   -1.1375    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578   -1.1275    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2934   -1.1406   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.9966   -0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994    1.0392    0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    1.0291    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    1.0460   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8025   -1.1007    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8484   -1.1205   -0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8099   -1.1145    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8043   -1.1260   -0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1337    1.0248   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9605   -0.2441    0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0868    1.0419    0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -0.2433    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0914    1.0370    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852    1.0215   -0.8860 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 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1617👍, 0💬