Molecule FYI-1005103

A

Molecule Summary:

ID: FYI-1005103
Names:
InChIKey: AUJRCFUBUPVWSZ-PJQDCIEHSA-M
SMILES: CCP(CC)(CC)=[Au]S[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005103 Edit

Molecule Structure InChIKey: AUJRCFUBUPVWSZ-PJQDCIEHSA-M

Molecule Structure SMILES String: CCP(CC)(CC)=[Au]S[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005103
FYIcenter.com

 32 32  0  0  1  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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  5  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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  4 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
  3 16  1  1  0  0  0
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 18 17  2  0  0  0  0
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  2 20  1  1  0  0  0
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 22 21  2  0  0  0  0
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  1 24  1  1  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005103-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
    0.1501    4.4434   10.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    4.8582    9.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    3.6717    8.7144 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.9561    4.7293    8.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950    5.7086    7.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128    2.3865   10.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5267    1.3130    9.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    2.2617    7.4583 Au  0  0  0  0  0  0  0  0  0  0  0  0
    4.7276    0.6992    6.0663 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4143    1.4107    6.0417 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1990    0.5430    5.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5659    0.9325    5.1269 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1081   -1.6055    6.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0038   -2.9992    6.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6845    2.3667    4.5459 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0227    2.7192    4.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6118    2.9969    3.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0814    3.2654    3.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    3.0204    2.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-27, 1628👍, 0💬