Molecule FYI-1012522

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A

Molecule Summary:

ID: FYI-1012522
Names:
InChIKey: WYEMCZZCZXKDNC-UHFFFAOYSA-N
SMILES: COc1ccc(Cl)c(OC)c1O

Received at FYIcenter.com on: 2024-09-17

Molecule ID: FYI-1012522 Edit

Molecule Structure InChIKey: WYEMCZZCZXKDNC-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc(Cl)c(OC)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012522
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 Cl  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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    1.2124    4.9000    0.0000 O   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
    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 O   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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012522-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    2.9578    1.4833   -0.0988 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8892   -1.2814    0.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137   -0.0043    0.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667   -1.9597    0.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373   -0.3101    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099   -0.6592    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3944    0.3228    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.0209    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0317    1.6537    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154    2.0028   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -1.9250   -0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822   -0.3438   -0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    2.4239   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5817    3.0443   -0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.2030   -1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4592   -2.4555   -1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753   -2.6535   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730    0.5038   -1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4207   -0.5895   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145   -1.2162   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411   -2.4909    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-10-14, 706👍, 0💬