Molecule FYI-1016379

A

Molecule Summary:

ID: FYI-1016379
Names:
InChIKey: SSPGGSPRYXEIBG-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCCOCC(COCCCO)OCCCOC(=O)C=C

Received at FYIcenter.com on: 2025-12-15

Molecule ID: FYI-1016379 Edit

Molecule Structure InChIKey: SSPGGSPRYXEIBG-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCCOCC(COCCCO)OCCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016379
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016379-3D
FYIcenter.com

 56 55  0  0  1  0  0  0  0  0999 V2000
    5.1351    8.7426    3.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    7.7099    2.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    6.3555    3.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9145    6.0914    4.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1131    5.4871    2.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4995    4.1282    2.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9849    3.9630    2.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4790    2.5627    2.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8757    2.4366    2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6679    3.2411    3.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1671    3.0670    2.8782 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4704    3.4124    1.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8520    3.1788    1.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1407    3.4913   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    3.3199   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4498    4.2663    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8337    4.0863    0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9281    3.9305    3.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7227    3.7208    5.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1035    2.3135    5.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8082    2.0887    7.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    0.7413    7.4298 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1959   -0.1802    7.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    0.0296    6.5617 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6839   -1.5088    7.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9381   -2.5993    7.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    9.7442    3.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    8.6194    4.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095    7.8216    1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9265    3.4843    1.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336    3.8486    3.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5182    4.7084    2.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2385    4.2137    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    1.8229    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.3031    3.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4079    2.9898    4.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4481    4.3045    2.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4785    2.0301    3.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2383    4.4656    1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8713    2.7791    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384    4.5212   -0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5798    2.8105   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8604    3.4931   -1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9296    2.2876   -0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2862    4.0887    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1947    5.3086    0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0516    3.1694    0.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941    3.9646    5.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3454    4.4517    5.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1605    2.1242    5.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5605    1.5632    5.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7572    2.2991    7.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4161    2.7588    7.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -1.5626    8.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9716   -2.5329    6.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2818   -3.5814    7.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END
$$$$

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