Molecule FYI-1004432

Home > Molecule

A

Molecule Summary:

ID: FYI-1004432
Names:
InChIKey: HQUQLFOMPYWACS-UHFFFAOYSA-N
SMILES: O=P(OCCCl)(OCCCl)OCCCl

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

Molecule ID: FYI-1004432 Edit

Molecule Structure InChIKey: HQUQLFOMPYWACS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=P(OCCCl)(OCCCl)OCCCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004432
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   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
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  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  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004432-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
   -3.6694   -2.0206   -0.1927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5051   -0.5001   -2.0427 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334    2.6658   -1.8807 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2633   -0.1663    1.1182 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356   -1.2576    0.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253   -0.6046    0.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    1.1960    0.3496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3949   -0.0289    2.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590   -1.4856   -0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605    0.2370    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916    1.8083    0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -2.5469   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166   -0.3577   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5882    3.0612   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266   -1.8276   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3591   -0.5527   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351    0.3242    1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5122    1.2356    0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    2.0720    1.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2119    1.1017    0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059   -2.7540   -1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439   -3.4744   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    0.2652   -0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1464   -1.3671    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248    3.5625    0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566    3.7572   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 3140👍, 0💬