Molecule FYI-1009527

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A

Molecule Summary:

ID: FYI-1009527
Names:
InChIKey: CMRNMZJAUFXOQF-UHFFFAOYSA-N
SMILES: CCCCCCCCC1=C(CCCCCCCC(=O)OC)C1

Received at FYIcenter.com on: 2024-05-13

Molecule ID: FYI-1009527 Edit

Molecule Structure InChIKey: CMRNMZJAUFXOQF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC1=C(CCCCCCCC(=O)OC)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009527
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   23.2239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    1.4000    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
   12.8244    0.1876    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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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  2  0  0  0  0
 11 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  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  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009527-3D
FYIcenter.com

 58 58  0  0  0  0  0  0  0  0999 V2000
   10.5684   -3.0985    7.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3024   -2.1464    6.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3291   -1.2596    5.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610   -0.2901    4.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0767    0.6178    4.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    1.6210    3.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8721    2.5498    2.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9279    3.4335    3.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4845    4.4555    4.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4569    5.0827    4.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1304    6.1441    5.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3959    5.8594    7.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4369    4.7685    7.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6820    4.6385    8.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6907    3.5356    9.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8751    3.4318   10.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8607    2.3349   11.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139    2.2600   12.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4361    2.9728   13.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8965    1.2743   12.9803 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1104    1.1316   14.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8849    5.4352    4.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2836   -3.7215    8.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -3.7618    6.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9712   -2.5470    8.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9144   -2.7316    5.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9857   -1.5250    7.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7130   -0.6896    6.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6484   -1.8886    5.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6617   -0.8572    4.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7541    0.3274    5.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4597    1.1506    4.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4022    0.0029    3.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4090    1.0654    2.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5060    2.2205    3.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2504    1.9298    1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    3.1812    1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2397    2.8020    3.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2969    3.9632    2.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5408    7.0742    5.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0761    6.4026    5.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529    5.6197    7.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7530    6.7962    7.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3811    5.0217    6.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0945    3.8113    6.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7283    4.4322    9.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0456    5.5969    9.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6551    3.7483    8.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3380    2.5740    8.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9026    3.2421   11.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2238    4.3960   11.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8459    2.5363   10.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5044    1.3615   10.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8388    0.3333   14.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1770    0.8609   14.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5272    2.0507   14.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5984    6.3550    4.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    5.1747    5.8053 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
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  2  3  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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2024-05-16, 207👍, 0💬