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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NS.C7H8O3S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;8-11(9,10)6-7-4-2-1-3-5-7/h3-8H,1-2H3;1-5H,6H2,(H,8,9,10)/q+1;/p-1