Molecule FYI-1006132

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A

Molecule Summary:

ID: FYI-1006132
Names:
InChIKey: LSLWNAOQPPLHSW-UHFFFAOYSA-N
SMILES: CCC(C)OC(=O)c1ccccc1

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006132 Edit

Molecule Structure InChIKey: LSLWNAOQPPLHSW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)OC(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006132
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    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
    8.4871    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   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
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  2  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006132-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
   -1.2150    0.1066   -0.0738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972   -1.8924    0.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727   -0.2995    0.0738 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4882    0.8221   -0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7919   -1.5806   -0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2603    2.1270    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2779   -0.7895    0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -0.2481    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235   -1.1263   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836    1.1164    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080   -0.6179   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    1.6248    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    0.7576   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7818   -0.4780    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040    1.0079   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    0.5237   -0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -1.5400   -1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -2.4745   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8610   -1.7485   -0.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450    2.5057    0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4201    1.9925    1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591    2.8917   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9622   -2.1988   -0.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4768    1.8116    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350   -1.2930   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423    2.6955    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305    1.1534   -0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2023-12-29, 922👍, 0💬