Molecule FYI-1015309

A

Molecule Summary:

ID: FYI-1015309
Names:
InChIKey: QTGAEXCCAPTGLB-SGRRRNBRSA-N
SMILES: C/C2=C/CC(C)(C)/C=C\\C[C@@]1(C)O[C@@H]1CC2

Received at FYIcenter.com on: 2025-08-03

Molecule ID: FYI-1015309 Edit

Molecule Structure InChIKey: QTGAEXCCAPTGLB-SGRRRNBRSA-N

Molecule Structure SMILES String: C/C2=C/CC(C)(C)/C=C\C[C@@]1(C)O[C@@H]1CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015309
FYIcenter.com

 16 17  0  0  1  0  0  0  0  0999 V2000
    6.2410    6.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3242    5.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    3.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3242    1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068    1.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068    4.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463    4.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    5.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    5.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  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
 10 11  1  6  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
  9 14  1  6  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015309-3D
FYIcenter.com

 40 41  0     1  0  0  0  0  0999 V2000
   -2.3359    1.9868   -0.6163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    1.4838    0.2103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7822    0.7326   -1.0067 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6361   -0.4825   -0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0645    2.1823    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    1.2372    1.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800   -1.7555   -0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    1.7566    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429   -0.1443   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947   -1.9958    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1041    0.8306    0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2466   -1.0018   -0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192   -1.6948    0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -1.1029    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534    0.6331   -1.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -2.6653    1.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262    0.7445   -1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3465   -0.4825   -1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -0.4864    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    3.2602    0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251    2.0777   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    0.9703    1.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    2.1405    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1816    0.4298    2.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1776   -1.7302   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4463   -2.6195   -1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338    2.3149    1.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    0.7671    1.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413   -1.7817   -1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6148   -0.3736   -1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -1.9707    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245   -1.6606    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547   -0.5524    0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314   -1.8328   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040   -0.0523   -2.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108    1.2389   -1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279    1.3079   -1.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -2.0540    1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984   -2.8234    2.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9659   -3.6440    1.0932 H   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
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

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2025-08-18, 529👍, 0💬