1H-azepine; 4-methylbenzenesulfonic acid

Systemtic Name: 1H-azepine; 4-methylbenzenesulfonic acid Openeye Name: 1H-azepine; 4-methylbenzenesulfonic acid CAS Name: 1H-azepine; 4-methylbenzenesulfonic acid IUPAC Name: 1H-azepine; 4-methylbenzenesulfonic acid Traditional Name: 1H-azepine; tosylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=CNC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=CNC=C1

InChI

InChI=1S/C7H8O3S.C6H7N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-7-5-3-1/h2-5H,1H3,(H,8,9,10);1-7H