Molecule FYI-1007141

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A

Molecule Summary:

ID: FYI-1007141
Names:
InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N
SMILES: CCCCC(=O)OC

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007141 Edit

Molecule Structure InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007141
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007141-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    2.2048    0.7166    0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133   -1.3666    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -0.2408   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6593    0.5835    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369    0.6563   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8915   -0.3069    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -0.1453   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    0.1032    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3577   -0.8668   -0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504   -0.9240    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013    1.2452   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691    1.2212    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506    1.2798    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.3046   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9290   -0.9378   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8963   -0.9574    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7998    0.3033    0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321   -0.5068   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251   -0.5029    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    0.8962    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

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2024-02-11, 472👍, 0💬