4-methylbenzenesulfonate; 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol

Systemtic Name: 4-methylbenzenesulfonate; 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol tosylate Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NOS.C7H8O3S/c1-8-11(6-7-12)9-4-2-3-5-10(9)13-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,12H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1