Molecule Editor

Molecule ID: FYI-1016228 Edit

Molecule Structure InChIKey: JCUFXZQUWAFYQC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1o[pH]oc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016228
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  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  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
 11  4  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016228-3D
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.1123    0.0661   -0.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2513    0.0033    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723   -1.1819    0.3105 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1586   -1.3717    1.2677 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091   -0.0725    0.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3898    1.1358    0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1594    2.2871    0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682    3.5427    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143    3.6455    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493    2.4917    0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409    1.2318    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473   -2.3508    0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2139    2.2080    1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1637    4.4428    0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    4.6249    0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994    2.5773   -0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  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 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$