Molecule FYI-1015709

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A

Molecule Summary:

ID: FYI-1015709
Names:
InChIKey: GLRQUVCOSPQFMH-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCCCCCC)c(OC)c1

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

Molecule ID: FYI-1015709 Edit

Molecule Structure InChIKey: GLRQUVCOSPQFMH-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015709
FYIcenter.com

 21 21  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
   13.3369    3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2006    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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015709-3D
FYIcenter.com

 47 47  0     0  0  0  0  0  0999 V2000
    0.3003    0.4771    1.3414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3147   -0.6679   -0.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155    2.2082   -0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5950   -0.3440   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4896    0.1997    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0067   -0.0375   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785   -0.1726   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0665   -0.6647   -0.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979    0.3247    0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4712   -0.3958   -0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5969   -0.0443    0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325    0.1934    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2911   -0.3954    0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    1.0662    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058    0.7718   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180   -0.9737    1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -1.2683    1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119   -0.7106    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630   -1.5182   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    3.0456   -1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105   -1.0938   -2.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4694    0.0735   -1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750   -1.4309   -0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5760    1.2915    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424   -0.1871    1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1521    1.0484   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1215   -0.4242    0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034    0.2443   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0025   -1.2627   -0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9718   -0.2632   -1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9102   -1.7479   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    1.4167    0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1644   -0.1079    1.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6084   -0.8158    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6724    0.6792   -0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2126   -0.8513   -1.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3321    1.4109   -0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438   -1.6575    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904   -2.1818    1.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1658   -1.2733    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2921    0.2197    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280   -2.5148   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    3.9066   -1.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939    3.4390   -0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9561    2.5414   -1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891   -1.7300   -3.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687   -0.1119   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$

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2025-10-14, 366👍, 0💬