Molecule FYI-1007342

A

Molecule Summary:

ID: FYI-1007342
Names:
InChIKey: SPYXQNGAIWHXBI-UHFFFAOYSA-N
SMILES: CC(C)Cc1c(F)c(F)c(C(C)C(=O)O)c(F)c1F

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007342 Edit

Molecule Structure InChIKey: SPYXQNGAIWHXBI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Cc1c(F)c(F)c(C(C)C(=O)O)c(F)c1F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007342
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    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
    2.4248    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6000    0.0000 F   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  1  0  0  0  0
  8 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007342-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    2.8137    1.1926   -3.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    1.8419   -2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    1.7857   -1.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600    1.1623   -0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6694    1.1877   -0.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    2.3833   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    3.5521   -0.8799 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.3927   -0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4270    3.5708   -0.8097 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5277    1.2070   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0444    1.2434   -0.7362 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5466    0.5453    0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292    0.6977   -1.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    0.1921   -2.9402 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0754    0.8799   -1.9910 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8057    0.0103   -0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4599   -1.1613   -0.8531 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4089    0.0007   -0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698   -1.1788   -0.9904 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    1.6873   -4.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    0.1320   -3.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853    1.2787   -3.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    2.8987   -2.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5979    0.7826   -1.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934    2.0593   -2.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171    2.4832   -1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    0.1226   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382    1.6386    0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3553    2.2952   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2752   -0.5152    0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277    1.0203    1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6370    0.5933    0.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4341    1.3578   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  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
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 1177👍, 0💬