Molecule FYI-1004436

A

Molecule Summary:

ID: FYI-1004436
Names:
InChIKey: FRCCEHPWNOQAEU-UHFFFAOYSA-N
SMILES: ClC2=C(Cl)C3(Cl)C1C(Cl)C=CC1C2(Cl)C3(Cl)Cl

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004436 Edit

Molecule Structure InChIKey: FRCCEHPWNOQAEU-UHFFFAOYSA-N

Molecule Structure SMILES String: ClC2=C(Cl)C3(Cl)C1C(Cl)C=CC1C2(Cl)C3(Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004436
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.5812    5.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856    5.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471    3.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    3.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2435    4.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4535    3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5737    2.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4132    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0195    2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3151    2.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.1088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7326    1.9826    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    1.2480    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8334    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8237    2.2105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2957    4.8076    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004436-3D
FYIcenter.com

 22 24  0     1  0  0  0  0  0999 V2000
    0.0545   -2.7730    0.8537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0779    1.6621   -1.6566 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369   -1.2178    0.0635 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -1.6772   -2.2148 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8275   -0.8696   -0.4643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342   -0.3095    3.0558 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457    2.4436    1.4990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0985   -0.5941   -0.5274 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4913    0.6813   -1.2212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1145   -1.1109    0.3262 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9828    0.6931   -0.6921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3190   -0.8333   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3592   -0.1266    0.2216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4313   -0.0894    1.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9509    0.9848    0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    1.7869   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003    1.3496   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -1.3394   -1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5352    0.5758   -2.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440   -0.3666    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607    2.8206   -1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1580    1.9989    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2950👍, 0💬