Molecule FYI-1010519

A

Molecule Summary:

ID: FYI-1010519
Names:
InChIKey: CYNVMUDRGXMWRY-UHFFFAOYSA-N
SMILES: CCCCC(O)C(O)CCCCCCCCCCCCCc1c(OC(C)=O)c(=O)c(C)c(O)c1=O

Received at FYIcenter.com on: 2024-06-13

Molecule ID: FYI-1010519 Edit

Molecule Structure InChIKey: CYNVMUDRGXMWRY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(O)C(O)CCCCCCCCCCCCCc1c(OC(C)=O)c(=O)c(C)c(O)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010519
FYIcenter.com

 35 35  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9892    2.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 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
  3 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 29 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010519-3D
FYIcenter.com

 81 81  0  0  1  0  0  0  0  0999 V2000
    0.8732    0.0307    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3906    0.0782    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9171    0.0529   -1.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4416    0.1067   -1.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4913    1.1753   -3.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5091    0.0496   -2.7913 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9929   -1.1006   -2.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6808    1.3866  -12.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1166    2.6611  -11.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  2  0  0  0  0
M  END
$$$$

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2024-06-30, 1228👍, 0💬