Molecule FYI-1009570

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A

Molecule Summary:

ID: FYI-1009570
Names:
InChIKey: FIKTURVKRGQNQD-VHEBQXMUSA-N
SMILES: CCCCCCCCCCCCCCCCC/C=C/C(=O)O

Received at FYIcenter.com on: 2024-05-15

Molecule ID: FYI-1009570 Edit

Molecule Structure InChIKey: FIKTURVKRGQNQD-VHEBQXMUSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCC/C=C/C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009570
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009570-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    1.0454   -0.0740    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -0.0690    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    1.0642   -0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019    1.0715   -0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143    2.2051   -1.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6317    2.2100   -1.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1414    3.3432   -2.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6581    3.3476   -2.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1681    4.4805   -3.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6849    4.4845   -3.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1957    5.6174   -4.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7132    5.6233   -4.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2257    6.7557   -5.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7448    6.7649   -5.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2645    7.8968   -6.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    7.9071   -6.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3197    9.0413   -6.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8198    9.0826   -6.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5500   10.1331   -6.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0258   10.0556   -6.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6444    9.0903   -7.0259 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6318   11.1748   -6.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -0.8884    0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572   -0.2094   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9324   -1.0294   -0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7118    0.9498   -1.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9804    0.1134   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9781    1.1900    0.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397    3.1652   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397    2.0895   -2.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0081    1.2511   -2.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0081    2.3269   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7657    4.3025   -2.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7657    3.2267   -3.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0339    2.3884   -2.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0339    3.4643   -1.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7923    5.4397   -3.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7923    4.3639   -4.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0603    3.5251   -3.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0603    4.6009   -2.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8183    6.5763   -3.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    5.4998   -5.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0891    4.6629   -4.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0867    5.7413   -3.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8458    7.7141   -4.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8504    6.6351   -6.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1202    5.8031   -5.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1156    6.8841   -4.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8833    8.8549   -5.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8860    7.7752   -7.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1580    6.9408   -6.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1555    8.0221   -5.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9238    9.9941   -6.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9495    8.9125   -7.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3289    8.1958   -7.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0702   11.0342   -6.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0323   11.8795   -5.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
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 19 59  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 60  1  0  0  0  0
M  END
$$$$

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2024-05-16, 170👍, 0💬