Molecule FYI-1006156

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A

Molecule Summary:

ID: FYI-1006156
Names:
InChIKey: QWBQBUWZZBUFHN-UHFFFAOYSA-N
SMILES: CC(C)CCOC(=O)Cc1ccccc1

Received at FYIcenter.com on: 2023-11-29

Molecule ID: FYI-1006156 Edit

Molecule Structure InChIKey: QWBQBUWZZBUFHN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCOC(=O)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006156
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6996    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
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 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
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006156-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
    1.2993   -0.0121   -0.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -0.0062    1.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    0.0250   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6924    0.0184   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4624    0.0134    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0903    1.2536    0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217   -1.2441    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.0486   -1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1009   -0.0197   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -0.0214   -0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0099   -1.2164   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.1983   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720   -1.1915    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623    1.2231    0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8982    0.0282    0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    0.0885   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560   -0.8529   -1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.8916   -1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570   -0.8712    0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    0.9150    0.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0996    1.3576    1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018    1.1853    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    2.1702    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5041   -1.3187    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2255   -1.2577    1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1203   -2.1369    0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -0.9536   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9159    0.8136   -1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5297   -2.1715   -0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5123    2.1344   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7670   -2.1217    0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497    2.1728    0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8808    0.0476    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-08, 281👍, 0💬