Molecule FYI-1005192

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A

Molecule Summary:

ID: FYI-1005192
Names:
InChIKey: LYINTWKRUWVLBA-UHFFFAOYSA-N
SMILES: c2ccc(C1OCCO1)cc2

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005192 Edit

Molecule Structure InChIKey: LYINTWKRUWVLBA-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(C1OCCO1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005192
FYIcenter.com

 11 12  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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005192-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    1.7796    0.5491   -1.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052   -0.9596    0.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -0.5673   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0361    0.5539   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942    0.0404    1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.2394   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399   -1.2387   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    1.0632    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832   -0.9354   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0916    1.3666    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590    0.3673    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665   -1.4025   -1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4694    1.5569   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7098   -0.1289   -0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -0.3839    1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    0.8212    1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0591   -2.2577   -0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120    1.8562    0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4365   -1.7135   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844    2.3804    0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1049    0.6035    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2023-10-27, 594👍, 0💬