S-tert-butyl (2R)-2-(4-nitrophenyl)-2-oxidanyl-ethanethioate

Systemtic Name: S-tert-butyl (2R)-2-(4-nitrophenyl)-2-oxidanyl-ethanethioate Openeye Name: S-tert-butyl (2R)-2-hydroxy-2-(4-nitrophenyl)ethanethioate CAS Name: (2R)-2-hydroxy-2-(4-nitrophenyl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R)-2-hydroxy-2-(4-nitrophenyl)ethanethioate Traditional Name: (2R)-2-hydroxy-2-(4-nitrophenyl)ethanethioic acid S-tert-butyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)SC(=O)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO4S/c1-12(2,3)18-11(15)10(14)8-4-6-9(7-5-8)13(16)17/h4-7,10,14H,1-3H3/t10-/m1/s1