Molecule FYI-1015705

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A

Molecule Summary:

ID: FYI-1015705
Names:
InChIKey: DVYYXRMJMMFFJQ-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCC)c(OC)c1

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

Molecule ID: FYI-1015705 Edit

Molecule Structure InChIKey: DVYYXRMJMMFFJQ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015705
FYIcenter.com

 17 17  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
   12.1244    4.2002    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
 15 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015705-3D
FYIcenter.com

 35 35  0     0  0  0  0  0  0999 V2000
    1.4913   -0.0466    0.8964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970   -2.0051   -0.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1843    0.8579   -1.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280    0.6303   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8058    0.0725    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    0.4617   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    0.1727    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -0.8154   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8112   -0.5839   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8354    0.8780   -0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283    1.6130    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118    1.3813    0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.3582   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2842    0.1398    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8482    0.4469    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390   -3.0560    0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7660   -0.5054    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696   -0.9993    0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9285    0.6364    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    1.5335   -0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572   -0.0681   -1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -1.3539   -1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9802    1.9474   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214    0.3800   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973    2.5629    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1320    2.1459    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0540    0.4278   -0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3880   -0.9318    0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4736    0.6816    0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8347    0.9591    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0936   -3.3147    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058   -2.7667    1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899   -3.9344    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4719   -0.7622    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8285   -1.0426   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  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
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 601👍, 0💬