Molecule FYI-1003716

Home > Molecule

A

Molecule Summary:

ID: FYI-1003716
Names:
InChIKey: YVCOJTATJWDGEU-APPZFPTMSA-N
SMILES: C[C@H]1O[C@@H]1c2ccccc2

Received at FYIcenter.com on: 2023-07-21

Molecule ID: FYI-1003716 Edit

Molecule Structure InChIKey: YVCOJTATJWDGEU-APPZFPTMSA-N

Molecule Structure SMILES String: C[C@H]1O[C@@H]1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003716
FYIcenter.com

 10 11  0  0  1  0  0  0  0  0999 V2000
    3.1248    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2001    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003716-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
    2.0249   -1.1121    0.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885    0.0318    0.5974 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2741    0.1217   -0.5240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1701    0.0399    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    0.6767   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8646    1.2483    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8409   -1.1614    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2299    1.2554   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062   -1.1543   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9008    0.0540   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823    0.4503    1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383    0.2170   -1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    0.5118    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3524    0.2122   -0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    1.7545   -0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510    2.1896    0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226   -2.1153    0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    2.1962   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7291   -2.0896   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640    0.0594   -0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 533👍, 0💬