2,2,2-tris(fluoranyl)ethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: 2,2,2-trifluoroethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid 2,2,2-trifluoroethyl ester Formula: C11H10F3NO7S2 MolecularWeight: 389.32481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H10F3NO7S2/c1-24(20,21)7-2-3-9(8(4-7)15(17)18)23(19)5-10(16)22-6-11(12,13)14/h2-4H,5-6H2,1H3