Molecule FYI-1003264

Home > Molecule

A

Molecule Summary:

ID: FYI-1003264
Names:
InChIKey: ZZUBHVMHNVYXRR-UHFFFAOYSA-N
SMILES: Oc3ccc(C2=Cc1ccc(O)cc1OC2)cc3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003264 Edit

Molecule Structure InChIKey: ZZUBHVMHNVYXRR-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc(C2=Cc1ccc(O)cc1OC2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003264
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.0000    0.0000 O   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
    7.2747    7.0000    0.0000 C   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
    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 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
    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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 18  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003264-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
   -1.4466    1.7460   -0.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8728    0.1080   -0.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897   -0.3642    0.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4854    0.2375    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.6351   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -0.5886    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341   -0.8232    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    0.6895   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9596    0.0793    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.6318    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6413    0.9234   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416   -1.0692   -0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711    1.0783    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311   -0.1187    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0469   -1.3945    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -1.2179   -0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1580    0.9295    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7367   -0.2186    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4967    2.2651   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358    2.0867    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -1.8486    0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132   -2.6360    0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198    1.9161   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9490   -1.8598   -0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3545    1.9799    0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7307   -2.2157    0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -2.1148   -0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    1.7100    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3379   -0.7226    0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3155   -1.2159   -0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 18  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 3212👍, 0💬