Molecule FYI-1006235

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A

Molecule Summary:

ID: FYI-1006235
Names:
InChIKey: XGJUAKUBPXPAOB-UHFFFAOYSA-N
SMILES: O=C(O)COCCOCCOCCOCCOCCOCCO

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

Molecule ID: FYI-1006235 Edit

Molecule Structure InChIKey: XGJUAKUBPXPAOB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)COCCOCCOCCOCCOCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006235
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   25.4611    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    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 O   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 O   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 O   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 O   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
    1.2124    2.1000    0.0000 O   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
 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  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006235-3D
FYIcenter.com

 51 50  0  0  0  0  0  0  0  0999 V2000
    3.1750  -10.7419    2.8269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2954  -10.2859    3.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626  -10.6118    2.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6546   -9.2964    4.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629   -9.0241    4.0476 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303   -8.0381    5.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -7.7359    4.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2054   -7.1107    3.6709 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5938   -6.7980    3.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8591   -6.1686    2.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2315   -5.7969    2.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5672   -5.2888    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0595   -4.9730    0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7985   -6.1930    0.8724 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2043   -5.9567    0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9262   -7.2806    1.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3359   -7.0556    1.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0599   -8.2718    1.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5525   -7.9673    1.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2966   -9.1722    1.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7061   -8.9133    1.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4474  -10.2292    1.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1024  -11.1543    0.5251 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1379  -10.1032    2.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4115   -9.7451    5.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0905   -8.3739    3.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012   -8.4269    6.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531   -7.1241    4.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5021   -8.6636    5.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2114   -7.0561    5.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   -7.7075    3.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914   -6.1030    4.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2255   -5.2848    2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6091   -6.8867    1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9904   -4.3763    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3226   -6.0405    0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3266   -4.3163    1.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3088   -4.4844   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4600   -5.2665    1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5211   -5.4956   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6458   -7.9842    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6313   -7.7232    2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8037   -8.9813    0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8009   -8.7342    2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8037   -7.2478    2.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8083   -7.5092    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9800   -8.2004    2.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9516   -8.4964    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1746  -10.6832    2.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5290  -10.0716    1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1260  -11.1783    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 322👍, 0💬