Molecule FYI-1003486

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A

Molecule Summary:

ID: FYI-1003486
Names:
InChIKey: DVQHYTBCTGYNNN-UHFFFAOYSA-N
SMILES: O=C(O)C1(C(=O)O)CCC1.N.N.[Pt]

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003486 Edit

Molecule Structure InChIKey: DVQHYTBCTGYNNN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C1(C(=O)O)CCC1.N.N.[Pt]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003486
FYIcenter.com

 13 10  0  0  0  0  0  0  0  0999 V2000
    4.3607    1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3587    2.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    3.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627    2.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    4.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989    5.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830    5.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568    3.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370    2.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    5.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1235    3.3998    0.0000 Pt  0  0  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
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003486-3D
FYIcenter.com

 27 24  0  0  0  0  0  0  0  0999 V2000
    1.5918   -0.5347   -0.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -0.4660   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4041    0.3133    0.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5911   -1.2649   -1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -0.7681   -2.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7822   -1.5022   -3.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869    0.5064   -2.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435   -2.7873   -1.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231   -2.9102   -1.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1022   -1.4499   -1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595    2.2518   -1.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -0.1743    1.3505 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603   -2.8508    1.2930 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    4.3619    0.4348    0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9827    1.1268   -2.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835   -3.3347   -1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3525   -3.0350    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056   -2.9668   -2.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5265   -3.6918   -0.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8181   -0.8166   -1.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3365   -1.4745    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994    2.1622   -1.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    1.4305   -1.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    2.1942   -0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    0.1926    1.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -1.1658    1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.3723    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$

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2023-07-05, 1522👍, 0💬