Molecule FYI-1006111

A

Molecule Summary:

ID: FYI-1006111
Names:
InChIKey: LISWZTUIIFHNJR-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006111 Edit

Molecule Structure InChIKey: LISWZTUIIFHNJR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006111
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
   24.2486    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
 10  8  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  2  0  0  0  0
 29 18  1  0  0  0  0
 30  7  1  0  0  0  0
 31 30  2  0  0  0  0
 31  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006111-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    1.9991    0.2733  -11.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882    0.4230  -11.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -0.1128  -11.9351 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    1.1930  -10.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290    1.2081   -9.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468    1.9678   -8.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5040    2.7304   -7.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5699    3.5553   -6.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    3.6245   -5.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    4.2201   -6.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0654   -5.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398    6.4160   -5.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7967    7.1836   -6.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1114    8.5352   -6.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7112    9.1535   -8.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    9.8566   -7.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2171   10.3081   -6.8239 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6801    9.8582   -9.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9621   10.4221   -9.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7797   10.3753  -10.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    9.7568  -11.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1564    9.7951  -12.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287   10.3645  -12.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    9.1882  -13.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8874    9.5859  -14.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2011    8.9553  -15.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0923    7.5342  -15.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0421    9.1836  -11.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2279    9.2345  -10.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5435    2.7092   -8.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4283    1.9503   -9.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9939   -0.0789  -11.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    0.6365   -9.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.9749   -7.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0107    5.2094   -5.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713    4.5626   -4.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    7.0121   -4.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1656    6.2640   -5.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    6.5972   -7.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8759    7.3368   -6.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1835    9.1721   -6.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479    8.3952   -7.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323   10.8960   -8.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7691   10.8273  -10.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9305   10.6796  -15.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769    9.2570  -15.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    9.2192  -14.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4451    9.2907  -16.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9373    7.2560  -14.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499    8.7006  -12.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473    8.7750  -10.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438    3.2976   -8.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2288    1.9990  -10.6946 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 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  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
  7  8  1  0  0  0  0
  7 30  2  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 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  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
 18 19  1  0  0  0  0
 18 29  2  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  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
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1721👍, 0💬