1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; methyl hydrogen sulfate

Systemtic Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; methyl hydrogen sulfate Openeye Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; methyl hydrogen sulfate CAS Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; sulfuric acid methyl ester IUPAC Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; methyl hydrogen sulfate Traditional Name: 1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium; sulfuric acid methyl ester Formula: C14H16NO4S2+ MolecularWeight: 326.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NS.CH4O4S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;