Molecule FYI-1015610

A

Molecule Summary:

ID: FYI-1015610
Names:
InChIKey: UPRHTUGKKQIKKR-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c1

Received at FYIcenter.com on: 2025-09-13

Molecule ID: FYI-1015610 Edit

Molecule Structure InChIKey: UPRHTUGKKQIKKR-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015610
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8498    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491   11.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   10.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740   11.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.0000    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  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 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
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015610-3D
FYIcenter.com

 67 67  0  0  0  0  0  0  0  0999 V2000
    1.8544    0.6807    3.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364   -0.2569    2.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -0.2855    1.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358   -0.1404    1.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0696    1.1511    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177    1.3437    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    0.2443    0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878    0.3952    0.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3612    1.5056    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0405    2.4605    1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951    1.3936   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5358    1.2078   -1.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    2.3634   -2.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6131    2.1003   -3.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8488    3.2319   -4.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930    2.9626   -5.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    4.0943   -6.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7822   -1.0464    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034   -2.2023    0.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8851   -2.1662    1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249   -1.2092    2.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5618   -3.5135    1.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5829   -4.1060   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3084   -3.2040   -1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2790   -3.8259   -2.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9919   -2.9294   -3.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   -3.5350   -4.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6811   -2.6300   -5.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4069   -1.2460    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.6402    4.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.5138    2.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   -1.0756    3.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418    0.5245    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933   -1.2116    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284    2.0244    1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7781    2.3554    0.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2403    0.5517    0.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    2.3025    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0089    0.2694   -1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5286    1.1205   -2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3079    3.3064   -2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7809    2.4738   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0774    1.1550   -3.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6020    1.9906   -4.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    4.1786   -4.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8598    3.3386   -4.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1536    2.0212   -6.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    2.8539   -6.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9367    4.2014   -6.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    3.8982   -7.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    5.0441   -6.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0668   -4.1897    2.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5943   -3.3857    1.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5593   -4.2863   -0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0837   -5.0817    0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3449   -3.0436   -0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8276   -2.2196   -1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2380   -3.9747   -2.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7556   -4.8131   -2.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0312   -2.7778   -3.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123   -1.9427   -3.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9278   -3.6820   -5.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455   -4.5203   -4.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2012   -1.6467   -5.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6619   -3.0668   -6.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7265   -2.4873   -5.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0118   -2.2546    1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 32  1  0  0  0  0
  3  4  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 29  2  0  0  0  0
  5  6  2  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  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
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 883👍, 0💬