Molecule FYI-1002536

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A

Molecule Summary:

ID: FYI-1002536
Names:
InChIKey: IEBWLTUBUDWZIM-UHFFFAOYSA-N
SMILES: CC1CCCC2CCCC(C)C12

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002536 Edit

Molecule Structure InChIKey: IEBWLTUBUDWZIM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CCCC2CCCC(C)C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002536
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  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
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002536-3D
FYIcenter.com

 34 35  0     1  0  0  0  0  0999 V2000
   -0.0600   -0.3267   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1147    1.0804    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -1.2098   -0.1321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3923   -0.9770    0.1040 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3941    1.7636   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    1.9762   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619   -0.4825   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5837   -0.0463   -0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    0.9024   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.3287    0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781   -1.6759    1.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489   -2.3330   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403   -0.1831   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940    0.9722    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1043   -2.1140   -0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -1.1347    1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5293    2.7255    0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997    1.9847   -1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1640    2.1863   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9774    2.9422    0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4044   -0.3803   -1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3536   -1.0865   -0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -0.4921    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183    0.0650   -1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    1.3949   -0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335    0.8167    1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3909    1.2371    1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2431    1.9721    0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270   -0.8406    2.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5584   -2.3298    1.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031   -2.2535    1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6291   -2.2486   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9039   -3.0759   -0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287   -2.7281   -0.2714 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  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1032👍, 0💬