Molecule FYI-1005175

A

Molecule Summary:

ID: FYI-1005175
Names:
InChIKey: CYQFCXCEBYINGO-UHFFFAOYSA-N
SMILES: CCCCCc1cc(O)c2c(c1)OC(C)(C)C3CCC(C)=CC23

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005175 Edit

Molecule Structure InChIKey: CYQFCXCEBYINGO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCc1cc(O)c2c(c1)OC(C)(C)C3CCC(C)=CC23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005175
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 12  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005175-3D
FYIcenter.com

 53 55  0     1  0  0  0  0  0999 V2000
    0.7125    1.9932    0.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4999   -2.5774   -1.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    1.0506   -0.2762 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2030   -0.2154   -0.8592 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9110    2.2586   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223    0.7532    1.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658   -0.3235   -0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -0.4001    1.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0204   -1.4637   -0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -1.5555    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0189   -1.4990   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-02, 916👍, 0💬