Molecule FYI-1006985

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A

Molecule Summary:

ID: FYI-1006985
Names:
InChIKey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006985 Edit

Molecule Structure InChIKey: IPCSVZSSVZVIGE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006985
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
   18.1865    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
   15.7617    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
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
  1  2  1  0  0  0  0
  2  3  1  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006985-3D
FYIcenter.com

 50 49  0     0  0  0  0  0  0999 V2000
   -9.5605    0.6695   -0.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5332   -1.3534    0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7700   -0.4356    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5235    0.4509    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    0.4092    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -0.3346    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2949   -0.4722    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    0.5050   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6050    0.3187    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3539   -0.3321   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8930   -0.5009   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5986    0.5561    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1645    0.3517   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9165   -0.2275   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4506   -0.4776   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1730    0.6435   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    0.3603   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4681   -0.1310   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548   -1.1149    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7587   -1.0564   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5360    1.0745    0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519    1.1356   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    1.1058   -0.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    1.0123    1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8365   -0.9824    0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7737   -1.0030   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759   -1.1927    0.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -1.0564   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493    1.1259   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0825    1.1921    0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5908    1.0785   -0.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6387    0.8661    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611   -0.9849    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3734   -0.9811   -0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379   -1.2311    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533   -1.0741   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5713    1.2318   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5806    1.1888    0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435    1.0427   -0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753    0.9681    0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9460   -0.9033    0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9313   -0.8708   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4539   -1.0823   -1.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650   -1.1782    0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1671    1.2837    0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1683    1.2834   -0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7586    1.0487   -0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6026   -0.2843   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7686    0.9489    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3937    0.1519   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 50  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  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  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 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
M  END
$$$$

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2024-01-31, 825👍, 0💬