Molecule FYI-1015881

A

Molecule Summary:

ID: FYI-1015881
Names:
InChIKey: UVVNOMDBKAAVSU-UHFFFAOYSA-N
SMILES: CC(C)(COC(=O)CCCCC(=O)O)COC(=O)CCCCC(=O)OCCO

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015881 Edit

Molecule Structure InChIKey: UVVNOMDBKAAVSU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(COC(=O)CCCCC(=O)O)COC(=O)CCCCC(=O)OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015881
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   23.0364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8493    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    1.4000    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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  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  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 28  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015881-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    1.0238    0.0262   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646    0.0623   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486   -0.0053   -1.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    1.3930    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383    1.5443    0.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9739    2.5533   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573    3.0839   -1.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2921    2.9910    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    1.8898    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6236    1.4176   -1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554    2.5354   -1.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157    2.0300   -3.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4757    1.5552   -3.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3418    2.1196   -4.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337   -1.1217    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119   -2.4072    0.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085   -3.1974   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079   -2.8074   -0.6439 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3098   -4.6499   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974   -4.9697   -1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486   -4.6698   -2.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244   -4.9807   -3.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408   -4.6834   -4.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9726   -5.4834   -5.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -3.3825   -5.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -2.8351   -6.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477   -3.2987   -7.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087   -2.8751   -7.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032    0.8781   -0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378    0.0750    0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6359   -0.8876   -0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741    0.8475   -2.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -0.9166   -2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.0073   -1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6565    1.4422    1.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5638    2.2449    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1214    3.3072    1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6231    3.8885   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0098    1.0313    0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2698    2.2501    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123    0.9900   -1.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3509    0.5966   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0897    2.9425   -1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4570    3.3729   -1.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5452    2.5003   -3.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7641   -1.0758    1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247   -1.0616    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114   -4.9007    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1723   -5.2544   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313   -4.3969   -0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493   -6.0316   -0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101   -5.2522   -2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187   -3.6142   -2.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -4.3959   -3.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491   -6.0376   -3.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876   -3.0960   -6.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8450   -1.7507   -6.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4871   -4.3847   -7.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -2.8539   -8.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -3.3171   -7.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 198👍, 0💬