Molecule FYI-1015271

A

Molecule Summary:

ID: FYI-1015271
Names:
InChIKey: VZTQQYMRXDUHDO-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)COC(=O)C=C)cc1)cc2

Received at FYIcenter.com on: 2025-07-24

Molecule ID: FYI-1015271 Edit

Molecule Structure InChIKey: VZTQQYMRXDUHDO-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)COC(=O)C=C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015271
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   14.0368    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   12.6000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 28 31  2  0  0  0  0
 26 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015271-3D
FYIcenter.com

 67 68  0  0  1  0  0  0  0  0999 V2000
    5.8976   -0.0767    5.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0886    0.9335    4.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    0.6842    3.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8593   -0.4024    2.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2663    1.8560    2.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3131    1.7554    1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612    1.2103    0.6441 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6619    1.1347   -0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8388    2.0698    1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6890    3.3943    0.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620    4.2927    0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7532    4.0357    1.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6968    5.0371    2.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5807    6.3274    1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6278    7.4400    1.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0273    6.8401    2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241    8.2872    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2462    8.3150    2.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5187    7.7845    4.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2419    8.5393    5.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6974    9.8489    5.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5102   10.6801    6.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7547   10.1488    7.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6261   11.2056    8.5797 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9311   12.3696    8.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8553   10.6132    9.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470   11.5572   10.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8641   11.6656   11.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8891   11.0161   11.4797 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6299   12.6990   12.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5843   12.9941   13.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4258   10.3942    4.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6988    9.6405    3.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4480    6.5741    0.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5118    5.5681    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.0822    6.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6973   -1.0872    5.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2898    1.9413    5.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1371    2.7588    0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4839    1.1431    0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8129    0.1940    1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7840    2.0471   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7706    1.6364    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8563    2.0973    2.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    3.0681    2.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5156    4.7796    2.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3840    6.2146    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0319    6.2289    2.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7731    7.6280    2.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0649    7.6456   -0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6488    9.0024    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9336    8.8717    0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581    6.7600    4.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6772    8.0580    5.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2650    9.2673    7.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7533    9.8783    7.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6170   11.5539    8.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1323   12.0835    7.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077    9.6780   10.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8269   10.3777    9.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6691   13.2005   12.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5515   12.4856   13.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302   13.7485   14.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7991   11.4131    4.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2977   10.1163    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2656    7.5541    0.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    5.7911   -0.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  2  0  0  0  0
 12 13  2  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 47  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
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  2  0  0  0  0
 19 20  2  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 715👍, 0💬