Molecule FYI-1006484

A

Molecule Summary:

ID: FYI-1006484
Names:
InChIKey: SSTAOBYYFVDWJB-UHFFFAOYSA-N
SMILES: CC2(C)OC1C3CC(C1O2)C4(F)C(F)(F)C(F)(F)C34F

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006484 Edit

Molecule Structure InChIKey: SSTAOBYYFVDWJB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)OC1C3CC(C1O2)C4(F)C(F)(F)C(F)(F)C34F

Download SDF Download SVG Structure in 2D SDF:

FYI-1006484
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    6.0994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8874    1.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382    2.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    3.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814    5.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306    3.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770    3.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481    2.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337    1.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912    4.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1447    5.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    6.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    6.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1416    6.7998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4518    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883    7.9527    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403    8.0944    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516    6.8101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    4.2720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1528    0.8531    0.0000 C   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
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006484-3D
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    0.8386   -0.4216   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022   -0.0091    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0268    0.6051    1.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    0.9025   -0.6837 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    0.8793   -0.3492 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2029    0.7999   -1.5261 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0525   -0.6697   -1.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4122   -1.1831   -0.5074 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4127   -0.4596    0.3719 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1245   -1.1007    0.3704 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8320   -0.6175   -0.4549 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4692   -1.3845   -1.4014 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437   -0.0186    0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9761   -0.8342    0.7836 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5280    0.5403    1.6335 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1528    0.9546   -0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7643    0.4487   -1.9298 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7387    2.1510   -0.5813 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5655    0.9463   -0.7979 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2774    1.8337    0.2075 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1527    0.4359   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -1.2292    0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026   -0.7551   -1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3426    1.4580    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686    0.9620    2.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6491   -0.1538    2.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3210    1.7408    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0214    1.5111   -2.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7549   -0.9717   -2.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406   -0.9505   -2.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3803   -2.2767   -0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7711   -0.3478    1.3982 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  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

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