Molecule FYI-1002269

A

Molecule Summary:

ID: FYI-1002269
Names:
InChIKey: CYQFCXCEBYINGO-IRXDYDNUSA-N
SMILES: CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]3CCC(C)=C[C@H]23

Received at FYIcenter.com on: 2023-02-17

Molecule ID: FYI-1002269 Edit

Molecule Structure InChIKey: CYQFCXCEBYINGO-IRXDYDNUSA-N

Molecule Structure SMILES String: CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]3CCC(C)=C[C@H]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002269
FYIcenter.com

 23 25  0  0  1  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
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    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    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
    0.0000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002269-3D
FYIcenter.com

 53 55  0     1  0  0  0  0  0999 V2000
   -0.6208   -2.0125   -0.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322    2.6889    0.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7805   -0.8980   -0.1384 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.6523    0.3809    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0177    0.2615   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293    1.5816    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2396    1.5503   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-03-17, 2418👍, 0💬