Molecule FYI-1003873

A

Molecule Summary:

ID: FYI-1003873
Names:
InChIKey: GEZCPJUCCNBSRC-UHFFFAOYSA-N
SMILES: O=C(O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl

Received at FYIcenter.com on: 2023-08-02

Molecule ID: FYI-1003873 Edit

Molecule Structure InChIKey: GEZCPJUCCNBSRC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003873
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.4872    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.3124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    0.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    0.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    0.8876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    4.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    3.3124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8872    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003873-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
   -0.5047   -1.6976    1.7560 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683    1.1622    1.7231 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358   -1.1759   -1.9976 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560    1.4972   -1.2199 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3795   -0.7013    2.3550 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1212   -2.2536   -0.0317 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -2.5774   -0.4579 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0691   -0.5170   -2.3854 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6068    2.1809    0.5119 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2635    0.6302   -1.9266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1592   -0.8539    0.1287 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711   -0.4152    2.1011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2047    0.2455    1.3962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -1.2985   -1.0391 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    1.5546   -1.1434 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2009    1.7605   -1.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    2.2460    1.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296   -0.3223    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -0.2391   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859   -0.5369    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4108   -0.7319   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    0.4983   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4945   -0.0941    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.2296   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7502    1.4098    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3641    2.7253   -1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 24  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2664👍, 0💬