Molecule FYI-1006993

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Molecule Summary:

ID: FYI-1006993
Names:
InChIKey: JJMDCOVWQOJGCB-UHFFFAOYSA-N
SMILES: NCCCCC(=O)O

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

Molecule ID: FYI-1006993 Edit

Molecule Structure InChIKey: JJMDCOVWQOJGCB-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006993
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    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
    7.2746    0.0000    0.0000 N   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006993-3D
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
    3.2957   -0.7928   -0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    1.2737    0.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849   -0.2163    0.0491 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2736    0.2901   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -0.4443    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.6680   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198    0.5025   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    0.0551    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249    0.8972   -0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119    0.9894    0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622   -1.0392    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775   -1.1515   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602   -1.2883    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903   -1.3194   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020    1.0708   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    1.2237    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8534    0.4527    0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -0.7279    0.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505   -0.3116    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

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2024-01-31, 216👍, 0💬