Molecule FYI-1003312

A

Molecule Summary:

ID: FYI-1003312
Names:
InChIKey: YRRPDWJMOYTJLG-UHFFFAOYSA-N
SMILES: CCc3ccc(c2ncc(c1ccc(OC)c(OC)c1OC)o2)c(OC)c3OC

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003312 Edit

Molecule Structure InChIKey: YRRPDWJMOYTJLG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc3ccc(c2ncc(c1ccc(OC)c(OC)c1OC)o2)c(OC)c3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003312
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.4496    5.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7496    7.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2725    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7030    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5259    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003312-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    4.3171   -0.9609   -1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260   -0.1243   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688    1.3653   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7018    1.9111   -0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526    3.2797   -0.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9911    4.1827   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3752    5.5919   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    6.5515    0.7370 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    7.6755    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3298    7.3669   -0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8294    9.2420   -1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6363   10.0995   -1.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8029    9.9056   -3.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5291   10.7654   -4.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1220   11.9048   -3.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3426    7.9273   -3.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8599    6.8325   -3.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4597    6.5907   -3.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1904    1.8905    0.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1009    0.9145    1.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  2 34  1  0  0  0  0
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  3 27  2  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
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  6  7  1  0  0  0  0
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 29 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1585👍, 0💬