1,3-benzothiazol-3-ium; methanesulfonate

Systemtic Name: 1,3-benzothiazol-3-ium; methanesulfonate Openeye Name: 1,3-benzothiazol-3-ium; methanesulfonate CAS Name: 1,3-benzothiazol-3-ium; methanesulfonate IUPAC Name: 1,3-benzothiazol-3-ium; methanesulfonate Traditional Name: 1,3-benzothiazol-3-ium trimesylate Formula: C24H27N3O9S6 MolecularWeight: 693.87588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2.C1=CC=C2C(=C1)[NH+]=CS2

InChI

InChI=1S/3C7H5NS.3CH4O3S/c3*1-2-4-7-6(3-1)8-5-9-7;3*1-5(2,3)4/h3*1-5H;3*1H3,(H,2,3,4)