Molecule FYI-1006678

A

Molecule Summary:

ID: FYI-1006678
Names:
InChIKey: CDLSCSXOZKFNDL-UHFFFAOYSA-N
SMILES: C=CC(C)(C)c3cc(O)c(O)c4c(=O)c2cc1C=CC(C)(C)Oc1c(O)c2oc34

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006678 Edit

Molecule Structure InChIKey: CDLSCSXOZKFNDL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(C)(C)c3cc(O)c(O)c4c(=O)c2cc1C=CC(C)(C)Oc1c(O)c2oc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006678
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.0373    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2498    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4622    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006678-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    0.7041   -0.7490   -0.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875   -1.0073   -0.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2733    3.3670    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501    3.3365    0.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-01-24, 1632👍, 0💬