Molecule FYI-1015903

A

Molecule Summary:

ID: FYI-1015903
Names:
InChIKey: VOLFWYFHYIOXBU-UHFFFAOYSA-N
SMILES: O=c2c(Cl)c(Nc1ccc(OS(=O)(=O)F)cc1)c(=O)c3c(Cl)cc(Cl)cc23

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015903 Edit

Molecule Structure InChIKey: VOLFWYFHYIOXBU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(Cl)c(Nc1ccc(OS(=O)(=O)F)cc1)c(=O)c3c(Cl)cc(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015903
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871   11.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    8.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 Cl  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
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 Cl  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
    6.0621    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   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  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 24 11  1  0  0  0  0
 25 24  2  0  0  0  0
 26  9  1  0  0  0  0
 27 26  2  0  0  0  0
 27  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015903-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.8116    0.2941    0.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0288    0.1603    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799   -1.1612    0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5933   -2.4998    0.4771 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -1.3197    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037   -2.5406    0.2754 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4634   -3.5842   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782   -3.3435   -1.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264   -4.3984   -2.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -5.7109   -2.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -6.8160   -3.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2948   -6.8527   -4.6875 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -8.2347   -5.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274   -5.9849   -5.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6335   -6.1807   -5.2102 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611   -5.9615   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6212   -4.9069   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987   -0.1021    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139   -0.2811    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    1.2511    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0278    2.4447    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7554    2.5101    0.0793 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3848    3.6931    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9986    3.7691    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    5.2978    0.0567 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2454    2.6061    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872    1.3548    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7121   -2.3892    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0058   -2.3287   -2.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636   -4.1455   -3.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159   -6.9824   -0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517   -5.1233    0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716    4.6101    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    2.6708    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  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 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  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
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 593👍, 0💬