Molecule FYI-1016782

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A

Molecule Summary:

ID: FYI-1016782
Names:
InChIKey: OPLCSTZDXXUYDU-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(O)c(C(C)(C)C)c1

Received at FYIcenter.com on: 2026-03-12

Molecule ID: FYI-1016782 Edit

Molecule Structure InChIKey: OPLCSTZDXXUYDU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)c(O)c(C(C)(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016782
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    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
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016782-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
   -0.5972   -2.1874   -0.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9808    0.2961    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362    0.1960   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4098    1.7795    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504   -0.4046    1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6374   -0.3663   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1441   -1.0426   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677    1.3702    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372   -1.1138   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    1.2989   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    0.0569   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351   -2.4340   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711    2.5510    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5058    1.8514    0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    2.3141    0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878    2.3165   -0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -0.0394    2.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -0.1966    1.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516   -1.4931    1.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7197   -0.1908   -1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244    0.0462   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952   -1.4499   -1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    2.3652    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    0.0041   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -3.0108    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9744   -3.0059   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245   -2.3156   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    2.3583    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597    3.0078   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726    3.2682    0.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -2.9749   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 336👍, 0💬