Molecule FYI-1016070

A

Molecule Summary:

ID: FYI-1016070
Names:
InChIKey: NWUJYKYQKYIPMP-UHFFFAOYSA-N
SMILES: O=C(O)CCCC(=O)OCCCCOC(=O)c1ccc(OCCCCO)cc1

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

Molecule ID: FYI-1016070 Edit

Molecule Structure InChIKey: NWUJYKYQKYIPMP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCC(=O)OCCCCOC(=O)c1ccc(OCCCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016070
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   15.8394    2.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6776    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6613    2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7923    1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5753    1.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1171    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    2.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5451    3.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4994    4.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1704    4.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9329    1.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    5.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0885    4.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022    5.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0434    1.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0697    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0759    3.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3516    1.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5601    2.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5029    1.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4557    2.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3512    3.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5530    1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016070-3D
FYIcenter.com

 56 56  0  0  0  0  0  0  0  0999 V2000
    8.1326    0.7855   -5.1737 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    0.3660   -4.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    0.9665   -4.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3986   -0.8789   -3.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776   -2.1504   -4.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7896   -2.4516   -5.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2513   -2.6429   -5.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6652   -3.1046   -4.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0294   -2.2469   -6.3248 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4388   -2.3088   -6.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9154   -1.1035   -5.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6560    0.2232   -5.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1571    1.4219   -5.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5662    1.2618   -4.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3700    1.7094   -5.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0519    2.4702   -6.8653 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6984    1.0472   -5.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6333    1.2922   -6.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8931    0.6824   -6.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2254   -0.1787   -5.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4147   -0.8395   -5.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5615   -0.1884   -6.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7976   -1.0481   -5.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6901   -2.4196   -6.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9284   -3.2715   -6.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7749   -4.5306   -7.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0233    0.1554   -4.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410    0.5388   -3.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8103   -0.7657   -2.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -0.9352   -3.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -2.0891   -4.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -2.9948   -3.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6639   -1.6455   -6.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4303   -3.3789   -6.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9419   -2.3304   -7.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7013   -3.2467   -5.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4028   -1.0756   -4.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5883    0.3467   -6.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1745    0.1949   -6.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6684    1.4594   -4.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9341    2.3661   -5.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3810    1.9519   -7.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5795    0.8853   -7.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6907    0.7900   -5.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4603   -0.0577   -7.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9193   -1.1858   -4.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6857   -0.5229   -6.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5381   -2.3006   -7.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8081   -2.9576   -6.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0946   -3.4454   -5.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8199   -2.7901   -6.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9985   -4.9657   -6.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5232   -1.1441   -4.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3097   -0.0788   -4.0660 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 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  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
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 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
$$$$

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2026-04-13, 529👍, 0💬