Molecule FYI-1003122

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A

Molecule Summary:

ID: FYI-1003122
Names:
InChIKey: QBIXLGJCVGNDBJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(C)C(C)C

Received at FYIcenter.com on: 2023-05-12

Molecule ID: FYI-1003122 Edit

Molecule Structure InChIKey: QBIXLGJCVGNDBJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(C)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003122
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
   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
   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
   10.9119    3.5000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003122-3D
FYIcenter.com

 44 43  0     1  0  0  0  0  0999 V2000
    3.8015   -0.5064    0.4174 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5279    0.1949   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085    0.2912    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -0.4972    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    0.2318   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.4155    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133   -1.9378   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897    0.3033   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719    1.6911    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4620    0.3985   -1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9197   -0.3116    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1456    0.4134   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4393   -0.2947    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6632    0.4390   -0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110   -0.5842    1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    0.2459   -1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    1.2264    0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -0.2506    0.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993   -1.5205   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141   -0.5691    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    1.2726    0.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381    0.2611   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248   -0.4340    1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592   -1.4597    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -1.9683   -1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797   -2.3819    0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416   -2.5833    0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5542    1.3464    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712    0.3354   -1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3921    2.3622    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7638    1.6460    1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0680    2.1466    0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6028   -0.5873   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6871    0.9278   -1.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.9495   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9451   -1.3615   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640   -0.3119    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1560    1.4473    0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0794    0.4577   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5019   -0.3605    1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4400   -1.3200   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5764   -0.0846   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6474    0.4961   -1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7099    1.4581    0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  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 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
M  END
$$$$

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2023-06-12, 3116👍, 0💬