Molecule FYI-1001018

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Molecule Summary:

ID: FYI-1001018
SMILES: c1cc(c(cc1[C@@H](CCl)O)C([H])([H])([H])O)O

Received at FYIcenter.com on: 2021-10-22

Molecule ID: FYI-1001018 Edit

Molecule Structure SMILES String: c1cc(c(cc1[C@@H](CCl)O)C([H])([H])([H])O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001018
FYIcenter.com

 13 13  0  0  1  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  1  6  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001018-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
   -1.1791   -1.2004    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088   -1.2533    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -0.0776    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    1.2134    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874    1.2101    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    0.0301    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3872    0.0994   -0.0502 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8836    0.8523   -1.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6658    0.9803   -1.4637 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9511   -1.1892   -0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347    2.6087   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    3.6007   -0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153    2.1509   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600    2.8856   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887    3.0559    1.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3275   -0.2102    0.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124   -2.1406    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896   -2.2218    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    2.1657    0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7531    0.6308    0.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554    0.3016   -2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645    1.8752   -1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163   -1.6348   -0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536    2.8509    1.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688   -1.0770    0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  1  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1588👍, 0💬