propyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate

Systemtic Name: propyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate Openeye Name: propyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate CAS Name: 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoic acid propyl ester IUPAC Name: propyl 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoate Traditional Name: 2-isocyanatosulfonyl-3-(trifluoromethyl)benzoic acid propyl ester Formula: C12H10F3NO5S MolecularWeight: 337.27171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3NO5S/c1-2-6-21-11(18)8-4-3-5-9(12(13,14)15)10(8)22(19,20)16-7-17/h3-5H,2,6H2,1H3