Molecule FYI-1007159

A

Molecule Summary:

ID: FYI-1007159
Names:
InChIKey: HJGKQMBZGZIVMB-VMPITWQZSA-N
SMILES: O=N(=O)c3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007159 Edit

Molecule Structure InChIKey: HJGKQMBZGZIVMB-VMPITWQZSA-N

Molecule Structure SMILES String: O=N(=O)c3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007159
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007159-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
    4.4202    2.6280    0.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9777    0.7367   -0.7435 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.0352   -0.9740    0.6311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -0.5139   -0.2924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3988   -0.1236   -0.0370 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4007   -0.7484   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762    0.3107    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786    0.7366   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7092    1.6648    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316    1.8143    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -2.0262   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6547    0.0988    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    0.8742   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1705   -0.1592    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.1717    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3067   -2.2408   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660   -1.1813   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566    0.7880   -0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197   -1.0943    0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9795   -0.1356    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2507    0.7997   -0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3139   -1.0827    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -1.2783   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159    2.8031    0.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -2.8634   -0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3389    0.9116    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502    1.8448   -0.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -1.1038    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7102   -3.2361   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2365   -1.3545    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350    1.5231   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -1.8412    1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7358    1.5488   -1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8488   -1.8260    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

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2024-02-18, 688👍, 0💬