Molecule FYI-1003464

A

Molecule Summary:

ID: FYI-1003464
Names: STEARIC ACID;
InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003464 Edit

Molecule Names: STEARIC ACID;

Molecule Structure InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003464
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   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 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  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
 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-1003464-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    0.9443    0.0240    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585    0.0155    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778   -0.4527    1.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960   -0.4610    1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0070   -0.9313    2.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5240   -0.9371    2.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0343   -1.4089    4.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5508   -1.4125    4.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0612   -1.8862    5.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5778   -1.8880    5.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0886   -2.3618    6.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6059   -2.3637    6.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1177   -2.8378    8.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6366   -2.8416    8.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1488   -3.3175    9.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6692   -3.3233    9.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2293   -3.7940   10.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7394   -3.7829   10.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3934   -3.4382    9.9057 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3540   -4.1775   12.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654    0.3597   -0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    0.6978    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.9807    0.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344    1.0223   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.6483   -0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020   -1.4604    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    0.2094    2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8760    0.5461    1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690   -1.1240    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6300   -1.9394    3.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348   -0.2699    3.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9016    0.0712    2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   -1.5976    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6580   -2.4177    4.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6605   -0.7493    4.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271   -0.4034    3.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9249   -2.0711    3.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6859   -2.8959    5.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860   -1.2285    6.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527   -0.8782    5.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527   -2.5456    4.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7129   -3.3713    7.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7129   -1.7040    7.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9800   -1.3538    6.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9800   -3.0211    6.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7404   -3.8469    8.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7404   -2.1796    8.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0098   -1.8316    7.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0098   -3.4977    7.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7690   -4.3258    9.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7690   -2.6571   10.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0379   -2.3126    9.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0379   -3.9740    8.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8764   -4.8140   11.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8764   -3.1288   11.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7931   -4.4419   12.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 56  1  0  0  0  0
M  END
$$$$

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2023-07-08, 2795👍, 0💬