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

Systemtic Name: 2-ethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2-ethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-1,3-benzothiazol-3-ium tosylate Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C2=CC=CC=C2S1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=[NH+]C2=CC=CC=C2S1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9NS.C7H8O3S/c1-2-9-10-7-5-3-4-6-8(7)11-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,2H2,1H3;2-5H,1H3,(H,8,9,10)