Molecule FYI-1013649

A

Molecule Summary:

ID: FYI-1013649
Names:
InChIKey: DQVRVRDKBMKTGP-UHFFFAOYSA-N
SMILES: O=C2OCCCCOC(=O)c1ccc(cc1)C(=O)OOCCOC(=O)c3ccc2cc3

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013649 Edit

Molecule Structure InChIKey: DQVRVRDKBMKTGP-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013649
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   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
   12.1244    3.5000    0.0000 O   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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   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
    8.4870    1.4000    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
    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 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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 14 15  1  0  0  0  0
 31  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013649-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.8991    1.4779    0.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    1.6366   -0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    2.7907   -1.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536    3.8500   -1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    4.1283   -2.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295    4.5083   -2.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235    4.0754   -4.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9749    4.2931   -4.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4918    3.8080   -5.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6597    4.0852   -5.9557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409    2.8807   -6.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5073    2.1415   -7.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9082    1.2478   -8.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.0424   -8.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    1.8089   -7.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    2.7230   -6.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0927    0.1283   -9.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787   -0.0590  -10.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441   -0.3820   -9.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108   -0.8343   -7.8514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721   -1.6876   -7.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379   -1.5874   -6.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772   -2.4035   -5.7202 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3263   -2.3907   -4.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1543   -3.2041   -3.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7851   -1.3919   -3.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606   -1.3644   -2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9663   -0.4128   -1.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043    0.5401   -1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    0.4620   -2.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7536   -0.4818   -3.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673    4.7318   -0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.5666   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    3.2435   -3.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8772    4.9094   -2.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715    5.5880   -2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    4.0112   -1.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4354    2.9998   -4.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    4.6594   -4.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5906    2.2682   -7.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5397    0.7274   -9.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    1.7405   -7.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503    3.3126   -6.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3947   -1.3364   -8.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -2.7089   -8.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0217   -1.8487   -5.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2361   -0.5430   -6.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -2.0894   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4239   -0.4249   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5604    1.1379   -2.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -0.4144   -4.4813 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 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  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 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  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 42  1  0  0  0  0
 16 43  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
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  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
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1106👍, 0💬