Molecule Editor

Molecule ID: FYI-1002426 Edit

Molecule Structure InChIKey: JVHXJTBJCFBINQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc3ccc(Cc2cc(C1OC(CO)C(O)C(O)C1O)ccc2Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002426
FYIcenter.com

 53 55  0  0  0  0  0  0  0  0999 V2000
    4.8302    6.9718    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.8679    0.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528    2.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    2.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4905    4.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151   11.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6604    2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0755    2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6604    4.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4528    4.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    4.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2453    8.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    6.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    9.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377   10.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    8.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   11.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    9.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   10.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151   12.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   13.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6604    1.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2856    3.7317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2351    3.2137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 28 53  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002426-3D
FYIcenter.com

 53 55  0     1  0  0  0  0  0999 V2000
   -1.9854    3.9247   -0.4928 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4776    0.3455    0.5452 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4260   -1.9289   -1.9299 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -1.4180   -2.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4816   -2.7350    0.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487    1.2193    1.9989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7052   -1.9042   -0.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5457   -2.1922   -0.8341 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3337   -1.2579   -0.9047 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.4540    2.1875   -1.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
$$$$