Molecule FYI-1004865

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A

Molecule Summary:

ID: FYI-1004865
Names:
InChIKey: HBRPWLBFSFKBJN-UHFFFAOYSA-N
SMILES: CC1=C(C(C)C)CCC1

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

Molecule ID: FYI-1004865 Edit

Molecule Structure InChIKey: HBRPWLBFSFKBJN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=C(C(C)C)CCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004865
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.1326    4.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    3.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    4.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666    0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004865-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    0.1267    0.0260    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2202    1.4796    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    1.5045   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2203    0.0884    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9751   -0.7403    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.3811   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898   -2.2222   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    0.1972   -1.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3010    0.0479    1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206    1.8356    1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.1189   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801    1.7662   -1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.2492    0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9754   -0.1969   -0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506   -0.0038    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -1.4715   -0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100   -2.6082    0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203   -2.7225   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -2.5079   -0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298    1.2874   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -0.0614   -2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2493   -0.2096   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3569    1.1379    1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280   -0.3334    1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118   -0.3477    2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
$$$$

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2023-10-15, 1843👍, 0💬