4-methylbenzenesulfonate; quinolin-1-ium-8-ol

Systemtic Name: 4-methylbenzenesulfonate; quinolin-1-ium-8-ol Openeye Name: 4-methylbenzenesulfonate; quinolin-1-ium-8-ol CAS Name: 4-methylbenzenesulfonate; 8-quinolin-1-iumol IUPAC Name: 4-methylbenzenesulfonate; quinolin-1-ium-8-ol Traditional Name: quinolin-1-ium-8-ol tosylate Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=C(C(=C1)O)[NH+]=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=C(C(=C1)O)[NH+]=CC=C2

InChI

InChI=1S/C9H7NO.C7H8O3S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,11H;2-5H,1H3,(H,8,9,10)