Molecule FYI-1011895

A

Molecule Summary:

ID: FYI-1011895
Names:
InChIKey: JSYUKXVWRPINHC-UHFFFAOYSA-M
SMILES: COC(C[Hg])CNC(=O)c1ccccc1OCC(=O)[O-]

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011895 Edit

Molecule Structure InChIKey: JSYUKXVWRPINHC-UHFFFAOYSA-M

Molecule Structure SMILES String: COC(C[Hg])CNC(=O)c1ccccc1OCC(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011895
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7999    0.0000 Hg  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
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011895-3D
FYIcenter.com

 35 35  0  0  1  0  0  0  0  0999 V2000
    1.1628    2.1172    1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5545    1.8792    1.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    0.4955    1.1757 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3541   -0.2854   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2094    0.5206   -1.7774 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    4.3933    0.3579    1.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    0.9630    2.4388 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964    1.0652    2.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0573    0.7208    1.7418 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    1.5799    3.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0903    1.5845    5.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6173    2.0155    6.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9334    2.4543    6.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7357    2.4587    5.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2296    2.0268    4.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    2.0633    2.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3836    2.1986    2.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8470    2.4259    1.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5007    3.4307    0.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6796    1.5489    0.8573 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0007    3.1788    1.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    1.5039    1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081    1.9734    0.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306    0.0520    2.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479   -0.2469   -0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -1.3560    0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226    0.8475    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786   -0.7182    1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893    1.3220    3.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0712    1.2330    5.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    1.9990    7.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323    2.7856    7.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7491    2.8175    5.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8435    1.2739    3.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7209    3.0757    3.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1468👍, 0💬