(2-chloranyl-4-isocyanato-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-chloranyl-4-isocyanato-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (2-chloro-4-isocyanato-phenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (2-chloro-4-isocyanatophenyl) ester IUPAC Name: (2-chloro-4-isocyanatophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (2-chloro-4-isocyanato-phenyl) ester Formula: C14H6Cl2F3NO4S MolecularWeight: 412.16795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=O)Cl)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1N=C=O)Cl)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C14H6Cl2F3NO4S/c15-11-3-2-9(6-10(11)14(17,18)19)25(22,23)24-13-4-1-8(20-7-21)5-12(13)16/h1-6H