4-methylbenzenesulfonic acid; quinoline

Systemtic Name: 4-methylbenzenesulfonic acid; quinoline Openeye Name: 4-methylbenzenesulfonic acid; quinoline CAS Name: 4-methylbenzenesulfonic acid; quinoline IUPAC Name: 4-methylbenzenesulfonic acid; quinoline Traditional Name: quinoline; tosylic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC=N2

InChI

InChI=1S/C9H7N.C7H8O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H;2-5H,1H3,(H,8,9,10)