Molecule FYI-1006608

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A

Molecule Summary:

ID: FYI-1006608
Names:
InChIKey: ATBNMWWDBWBAHM-UHFFFAOYSA-N
SMILES: CCCCCCCCCCN(C)CCCCCCCCCC

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006608 Edit

Molecule Structure InChIKey: ATBNMWWDBWBAHM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCN(C)CCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006608
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   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 N   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    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
    3.6373    2.1000    0.0000 C   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 C   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 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006608-3D
FYIcenter.com

 67 66  0  0  0  0  0  0  0  0999 V2000
    0.8485    0.2711   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.2443   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.1802    1.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4219    0.1553    1.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    0.0891    2.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730    0.0637    2.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970   -0.0063    4.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155   -0.0290    4.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9928   -0.1011    5.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5053   -0.1390    5.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0007   -0.1992    7.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5334   -1.3968    7.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4805   -0.1530    7.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0140    1.1494    6.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5178    2.3815    7.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0646    3.6258    6.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6033    4.8813    7.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1605    6.1149    6.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6984    7.3759    7.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542    8.6151    6.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7939    9.8818    7.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438   11.1173    6.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    0.3173   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708    1.1455    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -0.6274    0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5418    1.0473    1.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    1.0529    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833   -0.7111    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646   -0.8069    3.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5955    0.9564    3.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8616    0.9598    2.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298   -0.8048    2.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090   -0.9048    4.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6360    0.8573    4.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9203    0.8643    3.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8830   -0.9025    3.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5550   -1.0028    6.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6133    0.7597    6.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8330    0.7832    5.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059   -0.9735    5.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329   -1.4175    7.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8653   -1.4098    8.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   -2.3133    7.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8775   -0.9889    6.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8670   -0.2327    8.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214    1.2320    5.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1022    1.1255    6.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8408    2.3460    8.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4220    2.4260    7.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7301    3.6536    5.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5063    4.9195    7.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8286    6.1367    5.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2569    6.0711    6.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0304    7.3470    8.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6023    7.4130    7.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9222    8.6384    5.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3497    8.5722    6.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1265    9.8604    8.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6980    9.9261    7.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4390   11.1112    6.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0103   12.0225    7.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0036   11.1775    5.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2286👍, 0💬