Molecule FYI-1005239

A

Molecule Summary:

ID: FYI-1005239
Names:
InChIKey: BKEHTHXBXZNSIH-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)OCCCCO)cc1)cc2

Received at FYIcenter.com on: 2023-10-19

Molecule ID: FYI-1005239 Edit

Molecule Structure InChIKey: BKEHTHXBXZNSIH-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005239
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
  2  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  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
 19 25  1  0  0  0  0
 19 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005239-3D
FYIcenter.com

 59 60  0  0  0  0  0  0  0  0999 V2000
    2.0943  -13.7276   -7.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2147  -13.4171   -8.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3604  -14.3173   -9.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539  -12.0039   -9.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7886  -11.0414   -8.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158   -9.6909   -8.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3043   -9.3037   -9.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5132   -3.7650  -11.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 59  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1779👍, 0💬