Molecule FYI-1016050

A

Molecule Summary:

ID: FYI-1016050
Names:
InChIKey: ROCTXWSMTWTTMD-UHFFFAOYSA-N
SMILES: CC(O)C(=O)OCC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC(C)C(=O)O

Received at FYIcenter.com on: 2025-11-12

Molecule ID: FYI-1016050 Edit

Molecule Structure InChIKey: ROCTXWSMTWTTMD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)C(=O)OCC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC(C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016050
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
   19.0436    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2561    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4685    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2561    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8312    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6188    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6188    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4064    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1939    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9815    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9815    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5567    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3441    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1317    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2879    2.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1812    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8101    3.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  2  0  0  0  0
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 21 20  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016050-3D
FYIcenter.com

 51 50  0  0  1  0  0  0  0  0999 V2000
    9.1435    3.9986   -1.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1484    2.9165   -1.5480 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8460    3.3752   -1.9052 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189    1.5453   -2.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8190    0.9159   -2.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7575    1.1378   -1.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1979   -0.1250   -2.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103   -1.3081   -1.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490   -1.3644   -0.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3708   -2.2951   -2.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5559   -3.4642   -2.5715 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0993   -3.1610   -2.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0371   -4.6721   -3.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2924   -5.5742   -3.8026 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814   -4.6434   -3.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384   -5.7367   -4.4193 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6812   -5.4928   -5.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4653   -5.8642   -4.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1394   -5.1428   -3.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9871   -6.8864   -4.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   -6.7552   -5.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5238   -5.8794   -6.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5963   -5.3465   -7.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8381   -5.7855   -6.9426 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0920   -4.9796   -8.1217 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0941   -3.4928   -7.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4597   -5.3439   -8.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9270   -4.8266   -9.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1375   -6.3033   -8.0467 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8642    4.9592   -1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1538    4.1452   -3.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1583    3.7479   -1.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1484    2.7999   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1979   -0.3167   -1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4496   -4.0255   -2.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4883   -6.6805   -4.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7603   -7.7551   -5.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9639   -6.3304   -4.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3414   -5.2019   -8.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8648   -3.2806   -7.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1375   -3.1823   -7.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2907   -2.8579   -8.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6632   -6.6174   -7.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
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 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 18  1  0  0  0  0
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 17 44  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 22  1  0  0  0  0
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 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 27  1  0  0  0  0
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 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

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2026-04-13, 326👍, 0💬