Molecule FYI-1004149

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A

Molecule Summary:

ID: FYI-1004149
Names:
InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-M
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)[O-]

Received at FYIcenter.com on: 2023-08-18

Molecule ID: FYI-1004149 Edit

Molecule Structure InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-M

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCC(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1004149
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    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
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  5  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  2  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 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004149-3D
FYIcenter.com

 53 52  0     0  0  0  0  0  0999 V2000
   -4.1470    0.5553    0.3109 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7496    0.5286   -1.8916 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6361    2.9938   -1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9071    2.2370   -0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    2.6193   -0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -1.7967    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8269   -2.2712    0.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    0.7270   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6098   -2.4443    1.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363   -1.6501   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463    2.7865    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1052    0.0220   -0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0470   -1.9757    1.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2558   -2.1511    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704    2.4756    1.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285   -1.4541   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -2.3444   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -1.5236   -0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439    2.6621    3.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3988    0.0039   -0.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4484    2.8428   -2.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210    4.0672   -1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    2.6357   -1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    2.4403    0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    1.5867   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496    3.2457   -0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6286   -0.7101    0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -2.0223   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933   -2.0070    1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720   -3.3644    0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756    0.3251   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    0.5321   -2.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5578   -3.5361    1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3390   -2.2102    2.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608   -1.9031   -1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852   -0.5595   -0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246    2.1263    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    3.8149    1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415    0.4197   -1.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    0.2478    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6983   -2.4580    1.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933   -0.9045    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2905   -3.2414   -0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218   -1.9306    1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715    1.4434    1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629    3.1302    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3661   -1.8086   -2.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5427   -3.3961   -0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0652   -1.8327   -1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2777   -1.9247   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    1.9963    3.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6954    2.4348    3.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4722    3.6935    3.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1321👍, 0💬