Molecule FYI-1003749

A

Molecule Summary:

ID: FYI-1003749
Names:
InChIKey: SXTLQDJHRPXDSB-UHFFFAOYSA-N
SMILES: O=N(=O)[O-].O=N(=O)[O-].O.O.O.[Cu+2]

Received at FYIcenter.com on: 2023-07-24

Molecule ID: FYI-1003749 Edit

Molecule Structure InChIKey: SXTLQDJHRPXDSB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)[O-].O=N(=O)[O-].O.O.O.[Cu+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003749
FYIcenter.com

 12  6  0  0  0  0  0  0  0  0999 V2000
    5.6085    1.4889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085    2.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858    0.7747    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8178    0.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.8564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    1.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    3.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5538    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5933    4.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0022    4.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596    2.2367    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003749-3D
FYIcenter.com

 18 12  0  0  0  0  0  0  0  0999 V2000
    0.9638   -0.6414   -0.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8077   -1.5687   -1.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871   -2.3926   -1.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977   -1.6552   -0.0605 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6123    1.3749   -1.9287 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    1.0726   -0.8212 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3192    1.2471    0.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1221    0.5087   -0.6773 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5739    0.9517    1.7783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    2.4044   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0269   -1.9674    1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8556   -0.4411    1.2577 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    0.8950    1.8862    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230    1.0941    1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018    2.2841   -0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    2.5241   -1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0122   -2.8680    0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -1.6188    0.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2023-08-03, 626👍, 0💬