Molecule FYI-1004318

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A

Molecule Summary:

ID: FYI-1004318
Names:
InChIKey: DISCXBUSONAXJC-UHFFFAOYSA-N
SMILES: Cc1c(F)c(O)c(C(=O)O)c(O)c1F

Received at FYIcenter.com on: 2023-08-29

Molecule ID: FYI-1004318 Edit

Molecule Structure InChIKey: DISCXBUSONAXJC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004318
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004318-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.9579   -0.0843    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540   -0.0635    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058   -1.2318    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -2.4290    0.0850 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.2001    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2896   -2.3871    0.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2870    0.0208    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7683    0.1114    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3425    1.1481   -0.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4148   -0.9775    0.5859 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5381    1.2066    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1129    2.4524    0.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387    1.1535    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    2.2936    0.0078 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665   -1.1083    0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5772    0.4240   -0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687    0.4150    0.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -3.1076    0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8231   -1.7483    0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0874    2.3610   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

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2023-09-07, 1584👍, 0💬