Molecule FYI-1015456

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Molecule Summary:

ID: FYI-1015456
Names:
InChIKey: RFVNOJDQRGSOEL-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015456 Edit

Molecule Structure InChIKey: RFVNOJDQRGSOEL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015456
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   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
    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
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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 O   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  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 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015456-3D
FYIcenter.com

 63 62  0  0  0  0  0  0  0  0999 V2000
    0.9265    0.0689   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423    0.0677   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642    0.9740    1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    0.9773    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9956    1.8840    2.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5133    1.8854    2.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0240    2.7913    3.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5412    2.7918    3.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0519    3.6959    4.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5688    3.6982    4.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0809    4.6036    5.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5974    4.6090    5.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1136    5.5159    6.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    5.5262    6.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1469    6.4362    7.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6687    6.4486    7.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2338    7.3494    8.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7404    7.3280    8.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3974    6.6490    8.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2807    8.0766    9.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5871    7.6316   10.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6891    8.0278    9.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7782    9.4434    9.1104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513   -0.5819   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5419    1.0795   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5352   -0.2908    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.4102   -1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -0.9537    0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893    0.6320    2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5937    1.9961    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8635    1.3227    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591   -0.0422    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    1.5402    3.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6229    2.9048    2.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918    2.2301    1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875    0.8653    2.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6464    2.4470    4.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508    3.8118    3.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9190    3.1375    2.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9147    1.7712    3.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6749    3.3493    5.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6769    4.7162    4.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9453    4.0431    3.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433    2.6777    4.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7038    4.2577    6.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7037    5.6236    5.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9730    4.9523    4.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9727    3.5882    5.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7327    5.1706    7.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7326    6.5355    6.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0058    5.8689    5.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0064    4.5038    6.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7671    6.0868    8.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7661    7.4531    7.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0372    6.7827    6.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0379    5.4236    7.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8935    6.9999    9.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8858    8.3826    8.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5589    6.5427   10.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7833    8.0626   11.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5266    7.5984    8.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6571    7.6598    9.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9267    9.7524    8.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
M  END
$$$$

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2025-11-06, 850👍, 0💬