Molecule FYI-1013210

A

Molecule Summary:

ID: FYI-1013210
Names:
InChIKey: ZLCYSASPZFJWRC-CAOOACKPSA-N
SMILES: O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c2ccccc2

Received at FYIcenter.com on: 2024-11-24

Molecule ID: FYI-1013210 Edit

Molecule Structure InChIKey: ZLCYSASPZFJWRC-CAOOACKPSA-N

Molecule Structure SMILES String: O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013210
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   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
    7.2746    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013210-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    5.8267   -2.1141    0.1396 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    3.1033   -0.1925 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8630   -2.5175    0.1715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2274    2.0463   -0.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.0771    0.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    0.3972   -0.0111 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979   -0.2044    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -1.2136    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6934    1.1305   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240    0.2409   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149   -0.8880    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0496    1.4560   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103    0.4468   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597   -0.5236    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7954    0.9810    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9342   -1.0494   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3881    0.8148   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0771    0.4306    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2158   -1.5998   -0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2873   -0.8598    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579    1.9300   -0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677    0.7023   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -1.5921    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6515    1.9865    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1334   -1.6482   -0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9114    1.0064    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3812   -2.6021   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2854   -1.2879    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4335   -1.0800    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578   -3.0775    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 29  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 16 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
 20 28  1  0  0  0  0
M  END
$$$$

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2024-12-18, 833👍, 0💬