2-isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole

Systemtic Name: 2-isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole Openeye Name: 2-isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole CAS Name: 2-isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole IUPAC Name: 2-isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole Traditional Name: 2-isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole Formula: C9H4F3NO2S MolecularWeight: 247.19377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(S2)(C(F)(F)F)N=C=O

Isomeric SMILES

C1=CC=C2C(=C1)OC(S2)(C(F)(F)F)N=C=O

InChI

InChI=1S/C9H4F3NO2S/c10-8(11,12)9(13-5-14)15-6-3-1-2-4-7(6)16-9/h1-4H