Molecule FYI-1014301

Home > Molecule

A

Molecule Summary:

ID: FYI-1014301
Names:
InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N
SMILES: CC(C)(O)C(=O)c1ccccc1

Received at FYIcenter.com on: 2025-03-26

Molecule ID: FYI-1014301 Edit

Molecule Structure InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(O)C(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014301
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8499    1.4000    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
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014301-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
   -3.2124   -0.1052   -0.3667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1574    0.0123   -1.8975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881   -0.0023    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891    0.0092   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556   -1.2162    1.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380    1.3098    1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463    0.0031   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -1.2069   -0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942    1.2089   -0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433   -1.2114    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5445    1.2044    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2192   -0.0057    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885   -1.1905    1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629   -1.2705    1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068   -2.1469    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    2.1668    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9407    1.3638    1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1650    1.4290    1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -2.1490   -0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760    2.1548   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -0.9714   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687   -2.1536    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709    2.1431    0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2706   -0.0093    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1537👍, 0💬