Molecule FYI-1008217

A

Molecule Summary:

ID: FYI-1008217
Names:
InChIKey: OBWHQJYOOCRPST-UHFFFAOYSA-N
SMILES: O=c2c(O)c(c1ccc(O)cc1)oc3cc(O)ccc23

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008217 Edit

Molecule Structure InChIKey: OBWHQJYOOCRPST-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(O)c(c1ccc(O)cc1)oc3cc(O)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1008217
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    4.8498    2.8000    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008217-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
   -0.3602   -0.7859   -0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196    2.6709   -0.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410    3.0104   -0.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7206   -2.6617   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9285   -1.0738   -0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    0.6940    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785    0.3174    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152   -0.5776    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9067   -0.0463    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580    1.5955    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993    1.8691    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730    0.8458    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330   -1.7079   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9202   -1.5607    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886   -0.2099    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770   -0.2281   -1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4888   -0.2863    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401   -0.5549    1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -0.5734   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -0.7366   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1339    1.8294    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0923   -2.7017   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -0.0722    2.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -0.1048   -2.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5686   -0.1617    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596   -0.6794    2.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4449   -0.7139   -2.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382    2.3575   -0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6502   -2.3757    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2383   -1.1447    0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
$$$$

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