Molecule FYI-1016487

Home > Molecule

A

Molecule Summary:

ID: FYI-1016487
Names:
InChIKey: CDQUPTICIPKERO-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(C)o1

Received at FYIcenter.com on: 2026-01-12

Molecule ID: FYI-1016487 Edit

Molecule Structure InChIKey: CDQUPTICIPKERO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c1ccc(C)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016487
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.0656    2.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    3.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305    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  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  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
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016487-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    1.5145    0.7553   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9183   -0.2740    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0544    1.8597    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.0271    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818   -0.0856   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7496   -1.3582    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1644   -1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2488    0.2545   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.6179    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083    0.5474   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354   -0.8937   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748   -2.2026    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7980   -2.2716    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3945    0.8709    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    0.8705   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7045   -0.2034   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0339    1.1768   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353    1.1741    0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2648   -0.5248   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865   -1.5292   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0879   -1.5288    0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 807👍, 0💬