methyl hydrogen sulfate; 2,4,5-trimethyl-1H-benzimidazole

Systemtic Name: methyl hydrogen sulfate; 2,4,5-trimethyl-1H-benzimidazole Openeye Name: methyl hydrogen sulfate; 2,4,5-trimethyl-1H-benzimidazole CAS Name: sulfuric acid methyl ester; 2,4,5-trimethyl-1H-benzimidazole IUPAC Name: methyl hydrogen sulfate; 2,4,5-trimethyl-1H-benzimidazole Traditional Name: sulfuric acid methyl ester; 2,4,5-trimethyl-1H-benzimidazole Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)C)C.COS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)C)C.COS(=O)(=O)O

InChI

InChI=1S/C10H12N2.CH4O4S/c1-6-4-5-9-10(7(6)2)12-8(3)11-9;1-5-6(2,3)4/h4-5H,1-3H3,(H,11,12);1H3,(H,2,3,4)