Molecule FYI-1007194

A

Molecule Summary:

ID: FYI-1007194
Names:
InChIKey: BLIDFXMESRLQJP-UHFFFAOYSA-N
SMILES: Oc4ccc(c2[o+]c1ccccc1cc2OC3OCC(O)C(O)C3O)cc4O.[Cl-]

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007194 Edit

Molecule Structure InChIKey: BLIDFXMESRLQJP-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc4ccc(c2[o+]c1ccccc1cc2OC3OCC(O)C(O)C3O)cc4O.[Cl-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007194
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.5588    5.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    4.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    3.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    4.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743    5.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    5.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    3.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6503    5.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4521    8.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797    9.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7761    2.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
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 23 18  1  0  0  0  0
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 25 20  1  0  0  0  0
 26  4  1  0  0  0  0
 27  3  1  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007194-3D
FYIcenter.com

 48 50  0  0  1  0  0  0  0  0999 V2000
    0.6961   -0.6056   -3.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -0.0565   -2.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546    1.3153   -2.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1711    1.8648   -1.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1565    1.7426    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5076    2.6745   -0.7768 O   0  3  0  0  0  0  0  0  0  0  0  0
   -4.6018    3.2565   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8990    4.1479   -1.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0937    4.8702   -1.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1128    2.1515    1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9095    1.4554    1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1938    1.0828    4.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -0.3651    5.2126 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8669   -0.5006    6.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

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2024-02-18, 830👍, 0💬