1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-benzothiazol-3-ium tosylate Formula: C14H13NO3S2 MolecularWeight: 307.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2

InChI

InChI=1S/C7H5NS.C7H8O3S/c1-2-4-7-6(3-1)8-5-9-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H;2-5H,1H3,(H,8,9,10)