Molecule FYI-1016662

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A

Molecule Summary:

ID: FYI-1016662
Names:
InChIKey: CJSXYWCSFXPKKR-UHFFFAOYSA-N
SMILES: CCCOC(=O)CCCCC(=O)OCC

Received at FYIcenter.com on: 2026-02-09

Molecule ID: FYI-1016662 Edit

Molecule Structure InChIKey: CJSXYWCSFXPKKR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCOC(=O)CCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016662
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016662-3D
FYIcenter.com

 35 34  0     0  0  0  0  0  0999 V2000
   -3.7255   -0.3977    0.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754    0.4204    0.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    1.6295   -0.1131 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464   -1.6412   -0.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053    0.4139   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -0.4413   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -0.4330   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4386    0.4081   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6274    0.4055   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028   -0.4185   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9828    0.2829    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0961   -0.7489    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4664   -0.0976    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493   -0.2205    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1255    0.8384    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1121    1.0501   -1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    1.0901    0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1526   -1.1058    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -1.0895   -1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -1.0597   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3565   -1.0799    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    1.0220   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    1.0689    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9970    0.9359    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1095    0.8913   -0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0422   -1.4291   -0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9433   -1.3730    1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5541    0.5574    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6540    0.4993   -0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2469   -0.8617    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571   -0.8504    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2307   -0.8427   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1182    1.4879   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9475    1.4802    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1148    0.3822    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
$$$$

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