Molecule FYI-1004426

A

Molecule Summary:

ID: FYI-1004426
Names:
InChIKey: UFWIBTONFRDIAS-PGRXLJNUSA-N
SMILES: [2H]c2c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c1c2[2H]

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004426 Edit

Molecule Structure InChIKey: UFWIBTONFRDIAS-PGRXLJNUSA-N

Molecule Structure SMILES String: [2H]c2c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c1c2[2H]

Download SDF Download SVG Structure in 2D SDF:

FYI-1004426
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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 H   1  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
    1.2125    6.3000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17  4  1  0  0  0  0
 18  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004426-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    0.0000   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7076    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.3944    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    0.6959   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327   -0.6958   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2490   -2.4821    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.2489    2.4821   -0.0001 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -2.4822   -0.0001 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.4821    0.0001 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -1.2390   -0.0001 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.3732    1.2391   -0.0002 H   1  0  0  0  0  0  0  0  0  0  0  0
   -3.3733   -1.2390   -0.0001 H   1  0  0  0  0  0  0  0  0  0  0  0
   -3.3732    1.2390    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2023-09-16, 1872👍, 0💬