1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; 4-methylbenzenesulfonate CAS Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium tosylate Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C

InChI

InChI=1S/C13H12NS.C7H8O3S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1