Molecule FYI-1002105

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Molecule Summary:

ID: FYI-1002105
Names:
InChIKey: XLKZJJVNBQCVIX-UHFFFAOYSA-N
SMILES: OCCCCCCCCCCCCCCO

Received at FYIcenter.com on: 2023-01-30

Molecule ID: FYI-1002105 Edit

Molecule Structure InChIKey: XLKZJJVNBQCVIX-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCCCCCCCCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1002105
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   18.1865    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002105-3D
FYIcenter.com

 46 45  0     0  0  0  0  0  0999 V2000
    9.4393    0.4022    0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4190   -0.3269    0.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107   -0.4799   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    0.3938   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9114    0.3290   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9466   -0.4160   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033   -0.4937   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022    0.4558   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699    0.3649   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4711   -0.4008    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610   -0.4574    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7270    0.4723    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0283    0.4037    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0254   -0.3346    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2950   -0.4385    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2815    0.5263    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -1.1566    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140   -1.1106   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    1.0462    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335    1.0494   -0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820    0.9908    0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9481    0.9828   -0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9343   -1.1024    0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874   -1.0369   -1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009   -1.1003    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186   -1.1933   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2299    1.1303   -0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1604    1.0824    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4492    1.0728    0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    0.9624   -0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5038   -1.0419   -0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4519   -1.0612    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -1.0632    0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7882   -1.1573   -0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7330    1.1399   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6922    1.1129    0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    1.0031   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053    1.1241    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0384   -0.9976    0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0568   -1.0005   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600   -1.1409   -0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3066   -1.0050    1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3187    1.1517    0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3205    1.1683   -0.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2192   -0.1746    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2046    0.2461    0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 45  1  0  0  0  0
  2 16  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
M  END
$$$$

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2023-09-10, 359👍, 0💬