Molecule FYI-1015706

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A

Molecule Summary:

ID: FYI-1015706
Names:
InChIKey: SDIIJSQTFOIQRD-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCCC)c(OC)c1

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

Molecule ID: FYI-1015706 Edit

Molecule Structure InChIKey: SDIIJSQTFOIQRD-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015706
FYIcenter.com

 18 18  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
  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015706-3D
FYIcenter.com

 38 38  0     0  0  0  0  0  0999 V2000
    1.1802    0.1591   -1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3607    2.2016   -0.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -0.6620    0.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820   -0.3936    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    0.0155   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381   -0.1886    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059   -0.3911   -0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780   -0.2183   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837   -0.0164   -0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7967   -0.6308    1.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    1.0112   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013    0.8239   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3609   -0.5916   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -1.4186   -1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7885   -1.2311   -1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6449   -1.1526    1.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044    3.1991    0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3496   -0.5157    2.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2174   -1.4472    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    0.1895    1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    1.0802   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -0.5697   -1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0144    0.8688   -0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   -0.7580   -0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687   -1.6938    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8324   -0.4739    0.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6328   -0.0598    2.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387    1.5850    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7796   -1.2775   -0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970    0.3546   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6078   -2.3706   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048   -2.0354   -1.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2619   -2.1458    1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886    3.5135   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6078    2.8805    1.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    4.0778    0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242   -0.9806    3.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7602    0.4732    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  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
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$

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2025-10-14, 300👍, 0💬