Molecule FYI-1009907

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A

Molecule Summary:

ID: FYI-1009907
Names:
InChIKey: SECPZKHBENQXJG-BQYQJAHWSA-N
SMILES: CCCCCC/C=C/CCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-05-20

Molecule ID: FYI-1009907 Edit

Molecule Structure InChIKey: SECPZKHBENQXJG-BQYQJAHWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1009907
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   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  2  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  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009907-3D
FYIcenter.com

 48 47  0     0  0  0  0  0  0999 V2000
   -4.0524    1.2157   -0.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2405    0.3133    1.3989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7085   -2.1550   -0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7184   -2.6209    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769   -3.1869    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920   -1.6272   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954   -2.7450   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2205   -2.1231   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    1.9784    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527    2.1309   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    3.1779   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3180    0.9649    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852   -1.4323    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497    3.1237    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3202   -1.1535   -0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.3487   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    4.3110   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1948    0.1769    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -1.9311   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -1.2169    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8150   -2.7954    1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -3.5844   -0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7272   -3.3788    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612   -4.1386   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6277   -0.6766    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717   -1.4259   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774   -2.6995   -1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -3.5100    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708   -3.0722   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3297   -2.3410    0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970    1.8409    1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    1.0798   -0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    2.2276   -1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8439    3.0599    0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    3.2771   -1.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661    4.0914    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3627    1.1687    0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2748    0.9148    1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5831   -1.3810    1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    3.0718    1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8052    2.2023   -0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2757   -0.9971   -1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3109   -1.5635   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412   -0.4043   -1.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740    4.3685   -1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    4.2180    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653    5.2489    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9797    2.0733   -0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 48  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  2  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-29, 911👍, 0💬