2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)sulfanylethyl]pyridine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)sulfanylethyl]pyridine; 4-methylbenzenesulfonic acid Openeye Name: 2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)sulfanylethyl]pyridine; 4-methylbenzenesulfonic acid CAS Name: 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]pyridine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethyl]pyridine; 4-methylbenzenesulfonic acid Traditional Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)thio]ethyl]pyridine; tosylic acid Formula: C26H33NO3S2 MolecularWeight: 471.67512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1SCCC2=CC=CC=N2)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1SCCC2=CC=CC=N2)C)C(C)(C)C

InChI

InChI=1S/C19H25NS.C7H8O3S/c1-14-12-16(19(3,4)5)13-15(2)18(14)21-11-9-17-8-6-7-10-20-17;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,10,12-13H,9,11H2,1-5H3;2-5H,1H3,(H,8,9,10)