ethyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate

Systemtic Name: ethyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate Openeye Name: ethyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate CAS Name: 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate Traditional Name: 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoic acid ethyl ester Formula: C11H8F3NO5S MolecularWeight: 323.24513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)N=C=O

InChI

InChI=1S/C11H8F3NO5S/c1-2-20-10(17)7-4-3-5-8(11(12,13)14)9(7)21(18,19)15-6-16/h3-5H,2H2,1H3