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

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-1,3-benzothiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-methyl-1,3-benzothiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-1,3-benzothiazol-3-ium tosylate Formula: C15H15NO3S2 MolecularWeight: 321.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1