Molecule FYI-1006464

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Molecule FYI-1006464

A

Molecule Summary:

ID: FYI-1006464
Names:
InChIKey: HYAPNFUCKWPPCG-VMPITWQZSA-N
SMILES: Cc2ccc(C(=O)/C=C/c1ccc(O)cc1)o2

Received at FYIcenter.com on: 2023-12-22

Molecule ID: FYI-1006464 Edit

Molecule Structure InChIKey: HYAPNFUCKWPPCG-VMPITWQZSA-N

Molecule Structure SMILES String: Cc2ccc(C(=O)/C=C/c1ccc(O)cc1)o2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006464
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 O   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
    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
    0.0000    0.0000    0.0000 O   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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    5.0229    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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  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 15  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006464-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    2.8247    0.8305   -0.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695   -2.5154    0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8550    1.3021   -0.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044   -0.5236    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305   -0.5269    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    1.2930   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182   -0.9308    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9955    0.2490   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -1.2907    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8260   -1.1684    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614   -0.5220    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2575    0.8186    0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552   -1.2580   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2620    2.7512   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5092    1.4330    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5067   -0.6435   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6338    0.7020   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5761   -1.9489    0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    0.3255   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8422   -2.2554    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4272    0.5567   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4151    1.4223    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757   -2.3074   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    3.1358   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    3.2421    0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195    3.0312   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6033    2.4803    0.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3751   -1.2238   -0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5177    0.6501   -0.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 371👍, 0💬