Molecule FYI-1012676

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A

Molecule Summary:

ID: FYI-1012676
Names:
InChIKey: JRWZOFUCMQBZFA-UHFFFAOYSA-N
SMILES: Oc3ccc(c2cc1cc(O)cc(O)c1o2)cc3

Received at FYIcenter.com on: 2024-10-09

Molecule ID: FYI-1012676 Edit

Molecule Structure InChIKey: JRWZOFUCMQBZFA-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc(c2cc1cc(O)cc(O)c1o2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012676
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.4655    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962    4.1923    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
    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
    6.1288    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.9083    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  5  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 10  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
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17  3  1  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012676-3D
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.0468    0.2991   -0.5749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854    0.2395   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858    1.1176   -1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835    1.0159   -1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140    0.0367   -0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5687   -0.1020   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6382    0.5006   -1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8210   -0.1459   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2055   -0.0369   -0.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0657   -0.9019   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4182   -0.8489   -0.4044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5976   -1.8517    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2318   -1.9656    0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7308   -2.8846    1.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3869   -1.0999    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0362   -1.0675    0.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056   -0.8311    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -0.7338    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3256    1.0421   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    1.8799   -1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    1.7097   -1.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5807    1.2979   -1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5815    0.6923   -1.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6223   -0.1379   -1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3090   -2.4957    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4669   -3.3973    2.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7566   -1.6026    0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -1.4181    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  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 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1010👍, 0💬