Molecule FYI-1007070

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Molecule Summary:

ID: FYI-1007070
Names:
InChIKey: CKLJMWTZIZZHCS-UHFFFAOYSA-M
SMILES: [NH3+]C(CC(=O)[O-])C(=O)[O-]

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007070 Edit

Molecule Structure InChIKey: CKLJMWTZIZZHCS-UHFFFAOYSA-M

Molecule Structure SMILES String: [NH3+]C(CC(=O)[O-])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007070
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  3  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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  5  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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  5  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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007070-3D
FYIcenter.com

 15 14  0     1  0  0  0  0  0999 V2000
   -0.8923   -1.7305   -0.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -0.6387    1.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144    0.0196    1.0326 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7712   -0.5577   -1.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.6990   -0.3477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201    0.6536   -0.5241 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5800    1.0827    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692   -0.6074    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341    0.0795    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    0.4801   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    2.0260   -0.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018    1.2684    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031    2.5632   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443    1.9091    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571   -2.5410   -0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1404👍, 0💬