methyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate Openeye Name: methyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate CAS Name: 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate Traditional Name: 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoic acid methyl ester Formula: C10H6F3NO5S MolecularWeight: 309.21855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6F3NO5S/c1-19-9(16)6-3-2-4-7(10(11,12)13)8(6)20(17,18)14-5-15/h2-4H,1H3