Molecule FYI-1005923

A

Molecule Summary:

ID: FYI-1005923
Names:
InChIKey: JZTOSMXKXMOAQF-UHFFFAOYSA-N
SMILES: O=C2OCCCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c3ccc2cc3

Received at FYIcenter.com on: 2023-11-21

Molecule ID: FYI-1005923 Edit

Molecule Structure InChIKey: JZTOSMXKXMOAQF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2OCCCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005923
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.1014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2069    1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 10  1  0  0  0  0
 13 14  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005923-3D
FYIcenter.com

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.6249    7.1914   -1.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    6.7568   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5118    7.6070    0.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1561    8.8858    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124   10.3873    0.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6212   11.2544    2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   11.3349    3.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186   12.1316    4.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3092   12.1156    5.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   12.8753    6.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763   11.0318    5.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2341   10.3036    6.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140    9.0518    7.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    8.5222    5.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363    9.3240    4.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533   10.6116    4.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7854    7.0886    5.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    6.5576    6.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.4243    4.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    6.8266    4.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185    5.5961    3.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    5.7986    3.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3700    5.0196    2.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5176    5.3602    1.9843 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820    3.7968    1.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1429    3.8489    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436    4.6325   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    5.2394   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932    4.4093    0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    3.5876    1.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385    8.9969   -0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    8.6912    0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   10.9541    0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365   10.5891    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543   12.2982    1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6682   11.0114    2.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515   10.3089    3.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525   11.8172    2.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191   10.6773    7.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6028    8.4524    7.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4983    8.9330    3.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   11.2168    3.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531    7.2044    5.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6006    7.5987    3.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348    5.4527    2.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2798    4.7285    4.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735    3.2582   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4238    4.5320   -1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5223    4.4249    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267    2.9534    2.4267 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 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 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 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 437👍, 0💬