Molecule FYI-1015704

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Molecule Summary:

ID: FYI-1015704
Names:
InChIKey: GZKIAPLXSBWPRY-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CC)c(OC)c1

Received at FYIcenter.com on: 2025-09-30

Molecule ID: FYI-1015704 Edit

Molecule Structure InChIKey: GZKIAPLXSBWPRY-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(OC(=O)CC)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015704
FYIcenter.com

 16 16  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   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  2  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015704-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
    1.8737    0.0258   -0.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    1.9942    0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -0.8783    1.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0494   -0.6245    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.8627    0.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065    0.8083    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4245    0.5858    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863   -0.1793   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3565   -1.6122   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0387   -1.3896   -0.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2199   -0.1032   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4686   -0.4254   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382   -0.3794    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.5382    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3636    3.0455   -0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3800    0.5330   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6100   -1.9310    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6406   -0.3628    1.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    1.3596    1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   -2.5591   -0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947   -2.1631   -1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    0.9719   -0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308   -0.6446   -1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4589   -0.9383   -1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2498   -1.6119    0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2989   -0.3275    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -0.0089    1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    3.3104   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067    2.7533   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    3.9208   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0845    0.7939   -0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4386    1.0712    0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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2025-10-24, 955👍, 0💬