Molecule FYI-1004200

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Molecule Summary:

ID: FYI-1004200
Names:
InChIKey: ZMOMBHNITWAALH-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCCNCCO

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004200 Edit

Molecule Structure InChIKey: ZMOMBHNITWAALH-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCCNCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004200
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   20.6114    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  2  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004200-3D
FYIcenter.com

 63 62  0  0  0  0  0  0  0  0999 V2000
    5.0431    5.9752    8.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395    5.3503    7.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685    3.8404    7.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2653    3.2036    6.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    1.6947    7.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3654    1.0494    6.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709   -0.4617    6.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4664   -1.0729    5.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045   -2.5638    5.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3646   -3.3159    4.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4135   -2.7835    4.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264   -3.0457    4.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1324   -4.5374    4.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5596   -4.8013    5.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8038   -6.3042    5.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2251   -6.5997    5.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1456   -9.8177    6.0512 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5159  -10.0861    6.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7500  -11.5956    6.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4429  -12.1279    5.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2998    1.2752    6.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4367    1.4596    8.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3427    1.4635    6.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5395   -0.7029    7.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4354   -0.6631    5.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2941   -0.7867    4.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8032   -3.0637    6.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3060   -1.7046    3.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5463  -11.7930    5.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
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 22 63  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2640👍, 0💬