Molecule FYI-1003245

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A

Molecule Summary:

ID: FYI-1003245
Names:
InChIKey: FAFYLCKQPJOORN-UHFFFAOYSA-N
SMILES: CCBCC

Received at FYIcenter.com on: 2023-05-29

Molecule ID: FYI-1003245 Edit

Molecule Structure InChIKey: FAFYLCKQPJOORN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCBCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003245
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    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 B   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003245-3D
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.0109   -0.0650    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349   -0.0483    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    0.4614   -1.3461 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.5595   -1.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0494    1.9895   -1.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.4245    1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -0.7481   -0.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    0.9570   -0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188   -1.0745    0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190    0.6264    0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.7690   -2.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8961   -0.1065   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1976    0.2209   -0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5220    2.3431   -2.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1431    2.0266   -2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135    2.6697   -1.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2177👍, 0💬