Molecule FYI-1010658

A

Molecule Summary:

ID: FYI-1010658
Names:
InChIKey: IWZGOYRXOPEYKJ-UHFFFAOYSA-N
SMILES: O=C(Oc3ccc(c2ccc(OC(=O)c1ccc(O)cc1)cc2)cc3)c4ccc(O)cc4

Received at FYIcenter.com on: 2024-07-01

Molecule ID: FYI-1010658 Edit

Molecule Structure InChIKey: IWZGOYRXOPEYKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Oc3ccc(c2ccc(OC(=O)c1ccc(O)cc1)cc2)cc3)c4ccc(O)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010658
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4250    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  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
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010658-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
   -4.8355    0.1827   -0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    0.1827    0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0819   -0.4326    1.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0819   -0.4325   -1.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0751   -0.0657   -0.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0751   -0.0658    0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175    0.1821   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    0.1821    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    1.3490    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486    1.3491   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3703   -0.9846   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -0.9846    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4854    0.1825   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4853    0.1825    0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325    1.3493   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325    1.3492    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542   -0.9843   -0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.9843    0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0215   -0.1252    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0215   -0.1251   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606   -0.1467    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5606   -0.1466   -0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8409   -0.9796    0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8409   -0.9795   -0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5145    0.7486    0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2132   -0.9594    0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132   -0.9594   -0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2564   -1.8944   -0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -1.8944    0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4451   -1.6670    1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4450   -1.6668   -1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8755    1.4321   -1.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8756    1.4320    1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8698   -1.6277    1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8641   -1.6303   -1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2823    1.4568   -1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2889    1.4540    1.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2608    0.5970   -1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093   -0.7196   -0.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  2  0  0  0  0
  4 22  2  0  0  0  0
  5 31  1  0  0  0  0
  5 49  1  0  0  0  0
  6 32  1  0  0  0  0
  6 50  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  2  0  0  0  0
 11 35  1  0  0  0  0
 12 18  2  0  0  0  0
 12 36  1  0  0  0  0
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 14 16  2  0  0  0  0
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 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
 24 42  1  0  0  0  0
 25 29  2  0  0  0  0
 25 43  1  0  0  0  0
 26 30  2  0  0  0  0
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 27 31  2  0  0  0  0
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 28 32  2  0  0  0  0
 28 46  1  0  0  0  0
 29 31  1  0  0  0  0
 29 47  1  0  0  0  0
 30 32  1  0  0  0  0
 30 48  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1331👍, 0💬