Molecule FYI-1003857

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A

Molecule Summary:

ID: FYI-1003857
Names:
InChIKey: BGBUNTANUVVMIQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCOC(C)=O

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003857 Edit

Molecule Structure InChIKey: BGBUNTANUVVMIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCOC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003857
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   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
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    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 O   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 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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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003857-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    0.9838   -0.0378    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008   -0.0439    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0287   -1.0546   -0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.0640   -0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0655   -2.0747   -1.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5845   -2.0816   -1.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0967   -3.0901   -2.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6144   -3.0962   -2.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1261   -4.1027   -4.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6432   -4.1058   -4.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1589   -5.1108   -5.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6790   -5.1140   -5.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1887   -6.1171   -6.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7123   -6.1318   -6.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2348   -7.1327   -7.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7961   -8.4055  -10.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6909   -3.0759   -1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9619   -1.0817   -2.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7227   -2.8387   -3.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9898   -3.3494   -1.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9920   -2.0956   -3.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7504   -5.1040   -3.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179   -4.3586   -3.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0975   -6.3953   -5.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8981   -8.1398   -6.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9115   -8.3077  -13.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 57  1  0  0  0  0
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 20 59  1  0  0  0  0
M  END
$$$$

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2023-08-09, 480👍, 0💬