Molecule FYI-1004055

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A

Molecule Summary:

ID: FYI-1004055
Names:
InChIKey: QKJHNPXSYSFZMJ-UHFFFAOYSA-N
SMILES: C=Cc1ccc(O)c(C)c1

Received at FYIcenter.com on: 2023-08-09

Molecule ID: FYI-1004055 Edit

Molecule Structure InChIKey: QKJHNPXSYSFZMJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=Cc1ccc(O)c(C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004055
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    3.5000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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    2.1000    0.0000 C   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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004055-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -2.8292   -0.9800   -0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809    0.7588   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578    0.1641    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601    1.1375    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.5930   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146   -1.1878    0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5265   -1.5663    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359    1.8138   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558    0.5589    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082   -0.1060   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    2.1924    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664   -1.9708    0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -2.6231    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8212    1.7167   -0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056    1.7289    0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8087    2.8222   -0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452    1.5204    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -1.9517   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058    0.3076   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -1.0581   -0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2774👍, 0💬