Molecule FYI-1001522

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A

Molecule Summary:

ID: FYI-1001522
SMILES: C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O

Received at FYIcenter.com on: 2022-08-24

Molecule ID: FYI-1001522 Edit

Molecule Structure SMILES String: C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001522
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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
    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001522-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.8349    0.5040   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    1.2153   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970    0.6642   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -0.5775    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815   -1.2888    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9275   -0.7607    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -1.4798   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3343   -2.8118   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6612   -3.4699   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7101   -2.8938    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037   -4.8401   -0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8490   -5.2435   -1.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9198   -6.5063   -2.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8447   -7.3774   -1.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023   -7.0014   -1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6298   -5.7343   -0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8728   -8.6297   -2.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9437   -4.4353   -1.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -1.1245    1.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077    1.2981   -0.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045    0.9458   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    2.1830   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866   -2.2536    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1152   -0.8594   -0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589   -3.4512   -0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8153   -6.7896   -2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742   -7.6989   -1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -5.4809   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7396   -8.7691   -2.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8495   -3.6723   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -0.4651    1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6157    2.1421   -0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1601👍, 0💬