4-methylbenzenesulfonic acid; 2-(3-phenylmethoxyphenyl)ethanimidamide

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(3-phenylmethoxyphenyl)ethanimidamide Openeye Name: 2-(3-benzyloxyphenyl)acetamidine; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 2-(3-phenylmethoxyphenyl)ethanimidamide IUPAC Name: 4-methylbenzenesulfonic acid; 2-(3-phenylmethoxyphenyl)ethanimidamide Traditional Name: 2-(3-benzoxyphenyl)acetamidine; tosylic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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)COC2=CC=CC(=C2)CC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)CC(=N)N

InChI

InChI=1S/C15H16N2O.C7H8O3S/c16-15(17)10-13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,10-11H2,(H3,16,17);2-5H,1H3,(H,8,9,10)