Molecule FYI-1004333

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A

Molecule Summary:

ID: FYI-1004333
Names:
InChIKey: XKBYAWGHUSAWIY-UHFFFAOYSA-N
SMILES: CC(C)(O)OC(C)(C)OC(C)(C)OC(C)(C)O

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004333 Edit

Molecule Structure InChIKey: XKBYAWGHUSAWIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(O)OC(C)(C)OC(C)(C)OC(C)(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004333
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    0.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6011    1.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    1.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0697    0.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3823    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4603    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6168    2.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6948    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262    2.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042    1.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7773    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  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
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004333-3D
FYIcenter.com

 43 42  0  0  0  0  0  0  0  0999 V2000
    0.8604   -1.6444   -1.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -1.7370   -1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6889   -3.1793   -1.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4996   -0.8892   -2.6965 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0394   -1.2824   -0.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671   -1.0716   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372   -0.0243   -1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6491   -0.4274    0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1491   -2.3337   -0.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680   -2.5107   -0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222   -1.7341   -1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1721   -2.1328    0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9475   -3.8587   -0.7548 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -5.0283   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429   -5.1133    1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299   -5.3962   -0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3227   -6.0671   -0.7197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253   -1.9891   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -0.6017   -1.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.2195   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114   -3.5675   -2.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370   -3.8249   -1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982   -3.2538   -2.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -1.3203   -3.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700    0.7554   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584   -0.4756   -2.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7704    0.4921   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076    0.3643    1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291    0.0357    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5105   -1.1671    1.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4283   -0.6734   -1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8171   -1.8305   -2.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3383   -2.1253   -1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385   -1.0568    1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1508   -2.5998    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5189   -2.4200    1.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4081   -4.5184    2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784   -4.7803    1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0128   -6.1491    1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814   -4.7063    0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9462   -6.4128    0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299   -5.3800   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2606   -5.8206   -0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2610👍, 0💬