Molecule FYI-1001808

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A

Molecule Summary:

ID: FYI-1001808
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H]

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001808 Edit

Molecule Structure SMILES String: [2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001808
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 H   1  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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    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
    4.8497    1.4000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001808-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.0879   -0.0401    0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -0.0268    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365    1.1926   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225    1.2110   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9372    0.0054   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554   -1.2134   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -1.2291   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454   -2.1727    0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7991   -2.1475   -0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732    0.0060   -0.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382    2.1596   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    2.1229    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7804    0.8265   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  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 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$

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2023-01-06, 2879👍, 0💬