Molecule FYI-1007228

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A

Molecule Summary:

ID: FYI-1007228
Names:
InChIKey: ZIUHHBKFKCYYJD-UHFFFAOYSA-N
SMILES: C=CC(=O)NCNC(=O)C=C

Received at FYIcenter.com on: 2024-02-08

Molecule ID: FYI-1007228 Edit

Molecule Structure InChIKey: ZIUHHBKFKCYYJD-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)NCNC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007228
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   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 N   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 C   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  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007228-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
   -2.0407    0.2569   -1.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691   -1.1877   -0.5759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -0.7236    0.6601 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -0.0646    0.3965 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -1.1080    0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2246   -0.0679   -0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997   -0.2032   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973    0.2087    0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    1.0021    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5008    0.8367   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055    1.0505   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -1.9944    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0305   -1.3538   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447   -0.9364    1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    0.7848    0.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6039   -0.1042    1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387    1.8426    0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4265    1.0351    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4354    1.1661   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9906    1.9335    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142    0.2326   -0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1348👍, 0💬