4-methylbenzenesulfonate; quinolin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; quinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; quinolin-1-ium CAS Name: 4-methylbenzenesulfonate; quinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; quinolin-1-ium Traditional Name: quinolin-1-ium tosylate Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

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)