Molecule FYI-1004461

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A

Molecule Summary:

ID: FYI-1004461
Names:
InChIKey: IJOXUVLGRNFXPI-UHFFFAOYSA-M
SMILES: CCC2N[Pt]1(I)NC(CC)O[As]1(O)(O)O2

Received at FYIcenter.com on: 2023-09-06

Molecule ID: FYI-1004461 Edit

Molecule Structure InChIKey: IJOXUVLGRNFXPI-UHFFFAOYSA-M

Molecule Structure SMILES String: CCC2N[Pt]1(I)NC(CC)O[As]1(O)(O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004461
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.2663    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    4.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8751    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    4.7565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6902    3.7307    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    1.9999    4.9262    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399    3.4437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568    1.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3805    2.5352    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    1.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5404    1.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309    2.8222    0.0000 O   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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 15  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004461-3D
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    1.4206   -0.7291    1.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164   -0.3888    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061   -0.9385    0.1531 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2394   -0.5725    1.1279 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014    1.1956    0.7359 Pt  0  0  3  0  0  0  0  0  0  0  0  0
    7.5275    0.0184    1.6361 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    2.1624    0.0137 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    2.1463   -1.4156 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0399    3.5749   -1.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    3.5983   -3.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    1.2918   -2.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193    0.2973   -1.5582 As  0  0  0  0  0  0  0  0  0  0  0  0
    5.9036    1.9127   -1.9820 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -0.8266   -1.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121   -0.6145   -1.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063   -0.3216    2.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.2543    2.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087   -1.8264    2.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7541    0.7015    0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589   -0.8108   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0970   -2.0476    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9674   -1.3227    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    3.1141    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283    1.7967   -1.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0635    3.9978   -2.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    4.2066   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470    3.0065   -4.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779    4.6443   -3.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    3.1786   -3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1585    1.8438   -2.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2857   -0.4060   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2673👍, 0💬