Molecule FYI-1001023

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A

Molecule Summary:

ID: FYI-1001023
SMILES: CC([H])(C(=O)c1ccc(c(c1)C([H])([H])([H])O)O)Cl

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001023 Edit

Molecule Structure SMILES String: CC([H])(C(=O)c1ccc(c(c1)C([H])([H])([H])O)O)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001023
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   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
    2.4249    4.9000    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
    1.2124    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  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
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001023-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    4.1252   -0.0266   -2.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631   -1.3147   -1.4314 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9753   -1.3576   -0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121   -1.4241   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -0.5380   -0.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591   -2.6322    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615   -2.9414    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0224   -4.0956    1.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696   -4.9594    1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975   -4.6749    1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083   -3.5011    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943   -5.6260    1.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4100   -6.3626    1.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -6.3422    2.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198   -5.7345    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3394   -4.6448    2.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935   -6.0799    2.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0865   -2.6921   -2.5743 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2302    0.8584   -1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101    0.0798   -2.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043   -0.0628   -2.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4194   -2.3116    0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131   -4.3359    1.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6114   -3.2863    0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556   -4.8214    3.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -6.3135    2.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  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
 12 16  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1049👍, 0💬