Molecule FYI-1016095

A

Molecule Summary:

ID: FYI-1016095
Names:
InChIKey: AOORIQJVYOMFKQ-CNQIHURISA-N
SMILES: CCC/C/3=C/C1C(=O)OC(CC)CC1/C(C)=C/C2OC(=O)C[C@@H](O)CC2/C=C3

Received at FYIcenter.com on: 2025-11-15

Molecule ID: FYI-1016095 Edit

Molecule Structure InChIKey: AOORIQJVYOMFKQ-CNQIHURISA-N

Molecule Structure SMILES String: CCC/C/3=C/C1C(=O)OC(CC)CC1/C(C)=C/C2OC(=O)C[C@@H](O)CC2/C=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016095
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9668    6.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9783    5.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1193    0.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 24  1  0  0  0  0
 21 25  2  0  0  0  0
 19 26  1  1  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016095-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    8.7025   -3.0917   -9.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537   -3.2635   -8.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6826   -3.3443   -7.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3808   -2.0079   -6.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066   -1.9859   -7.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0505   -1.2293   -7.0781 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3660   -2.1448   -6.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8710   -2.7433   -7.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0131   -2.1334   -5.6283 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0485   -0.9516   -2.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9254   -1.4123   -4.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -0.3799   -5.8595 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7567    1.0362   -5.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6560    2.0195   -5.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7216    1.5965   -4.7275 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2204    0.7341   -3.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1549    1.2055   -2.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    2.0375   -1.9592 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0816    0.4936   -1.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    0.6778   -2.3048 C   0  0  1  0  0  0  0  0  0  0  0  0
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 28 60  1  0  0  0  0
M  END
$$$$

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