Molecule FYI-1006994

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Molecule Summary:

ID: FYI-1006994
Names:
InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES: CCCCCC(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006994 Edit

Molecule Structure InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006994
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   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
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006994-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -3.2967   -0.8120   -0.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3932    1.2715   -0.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149   -0.4084   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    0.2939    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382    0.5101    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281   -0.6729    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612   -0.2389   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518    0.0567   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604   -1.0107   -0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -1.1153    0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150    0.9254    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695    0.9722   -0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7898    1.1305    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    1.1936   -0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961   -1.2882    0.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789   -1.3260   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978    0.4659    0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401   -0.9026    0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2603   -0.8444   -0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1595   -0.3453   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  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  8  1  0  0  0  0
  6 15  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
M  END
$$$$

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2024-01-31, 1468👍, 0💬