4-methylbenzenesulfonate; quinoxalin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; quinoxalin-1-ium Openeye Name: 4-methylbenzenesulfonate; quinoxalin-1-ium CAS Name: 4-methylbenzenesulfonate; quinoxalin-1-ium IUPAC Name: 4-methylbenzenesulfonate; quinoxalin-1-ium Traditional Name: quinoxalin-1-ium tosylate Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CC=N2

InChI

InChI=1S/C8H6N2.C7H8O3S/c1-2-4-8-7(3-1)9-5-6-10-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-6H;2-5H,1H3,(H,8,9,10)