Molecule FYI-1011350

A

Molecule Summary:

ID: FYI-1011350
Names:
InChIKey: CDNKXVRPRFWXHH-UHFFFAOYSA-N
SMILES: CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)COCCO)cc2

Received at FYIcenter.com on: 2024-08-05

Molecule ID: FYI-1011350 Edit

Molecule Structure InChIKey: CDNKXVRPRFWXHH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)COCCO)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011350
FYIcenter.com

 30 31  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 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  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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011350-3D
FYIcenter.com

 62 63  0  0  1  0  0  0  0  0999 V2000
    1.0231   -0.0633    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673   -0.0289    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0441   -1.4815    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9888    0.3433   -1.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437    0.6146   -2.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.9995   -3.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    1.1246   -4.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413    1.5359   -5.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2398    1.9385   -6.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688    2.4529   -7.4817 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8240    2.7515   -8.4193 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428    3.6908   -7.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2841    4.1869   -8.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7302    0.8230   -3.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487    0.4376   -1.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    0.9925    1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830    0.5975    2.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854    1.5272    3.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    2.8873    2.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6006    3.8786    3.7452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4452    3.4382    4.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    4.6373    5.6696 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6546    5.5485    4.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7105    5.3723    6.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0423    4.1004    8.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708    3.5535    9.5426 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3613    3.3038    1.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608    2.3693    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9767    0.5437   -2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    1.2016   -4.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7880    0.8939   -3.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    0.2247   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3391    2.9644    4.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2666    2.7344    0.0761 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 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 16 30  2  0  0  0  0
 17 18  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1149👍, 0💬