4-methylbenzenesulfonic acid; 3-phenoxypyridine

Systemtic Name: 4-methylbenzenesulfonic acid; 3-phenoxypyridine Openeye Name: 4-methylbenzenesulfonic acid; 3-phenoxypyridine CAS Name: 4-methylbenzenesulfonic acid; 3-phenoxypyridine IUPAC Name: 4-methylbenzenesulfonic acid; 3-phenoxypyridine Traditional Name: 3-phenoxypyridine; tosylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)OC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)OC2=CN=CC=C2

InChI

InChI=1S/C11H9NO.C7H8O3S/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H;2-5H,1H3,(H,8,9,10)