2,4-dimethyl-1,3-benzothiazole; methyl sulfate

Systemtic Name: 2,4-dimethyl-1,3-benzothiazole; methyl sulfate Openeye Name: 2,4-dimethyl-1,3-benzothiazole; methyl sulfate CAS Name: 2,4-dimethyl-1,3-benzothiazole; methyl sulfate IUPAC Name: 2,4-dimethyl-1,3-benzothiazole; methyl sulfate Traditional Name: 2,4-dimethyl-1,3-benzothiazole; methyl sulfate Formula: C10H12NO4S2- MolecularWeight: 274.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H9NS.CH4O4S/c1-6-4-3-5-8-9(6)10-7(2)11-8;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/p-1