Molecule FYI-1006937

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A

Molecule Summary:

ID: FYI-1006937
Names:
InChIKey: XRHCAGNSDHCHFJ-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCCCCC(=O)OCCO1

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006937 Edit

Molecule Structure InChIKey: XRHCAGNSDHCHFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCCCCC(=O)OCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006937
FYIcenter.com

 45 45  0  0  0  0  0  0  0  0999 V2000
    5.7176   10.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969    7.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1036   10.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1927    1.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3770    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1760    4.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4030    6.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425    1.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9273    7.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8482    3.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1412    8.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    4.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
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 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006937-3D
FYIcenter.com

 45 45  0     0  0  0  0  0  0999 V2000
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    0.4500   -2.0060    0.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3053   -1.1003    0.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295   -2.9215   -0.8945 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654    2.7735   -0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4225    2.4484    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    2.8577   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878    2.3920   -0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4041    1.5951    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177    2.0595    0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155    0.3822   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4501    1.9506    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783   -0.8997    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    0.8182   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6788   -1.5378    1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706   -0.5384   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5294   -2.7085   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 35  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 17  1  0  0  0  0
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M  END
$$$$

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2024-01-31, 1341👍, 0💬