Molecule FYI-1012758

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A

Molecule Summary:

ID: FYI-1012758
Names:
InChIKey: FXCIDBVKXZJFPI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCOCCN(CCO)CCO

Received at FYIcenter.com on: 2024-10-21

Molecule ID: FYI-1012758 Edit

Molecule Structure InChIKey: FXCIDBVKXZJFPI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCOCCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012758
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   15.7616    0.7000    0.0000 N   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
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 O   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
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    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 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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  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  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012758-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    0.9077    0.0933    0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.0769    0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9619   -1.3491    0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4857   -1.3822    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9926   -2.8211    0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5138   -2.8866    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -4.3357    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117   -4.4013    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0306   -5.8366    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473   -5.8206    0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -7.1471    0.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5037   -7.0765    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1328   -8.4784    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6197   -8.4849    0.2881 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2274   -7.7033    1.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7527   -7.5102    1.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1434   -6.8947    0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1316   -9.8837    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6616  -10.7560   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9638  -10.1183   -2.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337    1.1197    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737   -0.3372    1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -0.4823   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8476    0.6813    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    0.5395   -0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290   -1.9505   -0.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480   -1.8080    1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.7876    1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8060   -0.9289   -0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5507   -3.4111   -0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6651   -3.2727    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9602   -2.3028    1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459   -2.4336   -0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460   -4.9170   -0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643   -4.7855    1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9552   -3.8127    1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8376   -3.9408   -0.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6071   -6.4432   -0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7223   -6.3151    1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9567   -5.2380    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8530   -5.3521   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8110   -6.4854    1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8285   -6.5698   -0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -9.0505   -0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8210   -8.9776    1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9486   -8.1389    2.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8295   -6.6865    1.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2982   -8.4487    1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0598   -6.8486    2.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7174   -7.4120   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8850  -10.3808    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2236   -9.8466    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5898  -10.9664   -0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1893  -11.7175   -0.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6615   -9.1954   -2.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  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 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
M  END
$$$$

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