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

Systemtic Name: (2-chloranyl-4-isocyanato-phenyl) 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2-chloro-4-isocyanato-phenyl) 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(trifluoromethyl)benzenesulfonic acid (2-chloro-4-isocyanatophenyl) ester IUPAC Name: (2-chloro-4-isocyanatophenyl) 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-(trifluoromethyl)benzenesulfonic acid (2-chloro-4-isocyanato-phenyl) ester Formula: C14H7ClF3NO4S MolecularWeight: 377.72289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)OC2=C(C=C(C=C2)N=C=O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)OC2=C(C=C(C=C2)N=C=O)Cl

InChI

InChI=1S/C14H7ClF3NO4S/c15-12-7-10(19-8-20)3-6-13(12)23-24(21,22)11-4-1-9(2-5-11)14(16,17)18/h1-7H