Molecule FYI-1006902

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A

Molecule Summary:

ID: FYI-1006902
Names:
InChIKey: DVWSXZIHSUZZKJ-JSIPCRQOSA-N
SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006902 Edit

Molecule Structure InChIKey: DVWSXZIHSUZZKJ-JSIPCRQOSA-N

Molecule Structure SMILES String: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006902
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2598    2.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0891    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9184    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1782    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3680    2.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5578    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8176    2.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1973    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3871    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5769    2.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7667    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0265    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006902-3D
FYIcenter.com

 53 52  0     0  0  0  0  0  0999 V2000
    5.8553   -0.6006   -0.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6142    1.5341    0.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    2.6803    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8882    2.5765   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4168    1.4623   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7227    3.7644    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712    1.5916    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013    3.6560   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141    0.3765   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8738    2.4653    0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597    0.5296    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5060    1.5123   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1552    0.3159    0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569   -0.9627   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9456   -1.9166    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454   -3.1974    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461   -0.5810    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -3.2984    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037   -3.4213   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476   -3.5203   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -4.9663    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    3.5834   -0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    2.8068    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2851    1.6446    0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772    2.4966   -1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762    0.5539    0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3831    1.3565   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6331    3.8482    1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152    4.6909   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990    1.7294    1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3114    2.4956   -0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897    3.6335   -1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    4.5591    0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807    0.2260   -1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122   -0.5152    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310    2.3901    1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5600    1.5944   -1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2230    0.3256    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0866    0.3615    1.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6419   -1.1243   -1.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8789   -1.7626    1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770   -4.0380    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4911   -3.2881   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6825   -1.5370   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3727   -0.4621    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7551    0.2231   -0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396   -3.2777    1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1449   -3.4620   -1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1488   -3.0609   -0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497   -2.9498    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4130   -5.4339    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365   -5.0156    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8081   -5.5583   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  2  0  0  0  0
 10 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
M  END
$$$$

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2024-01-31, 2402👍, 0💬