methanesulfonic acid; 2-methyl-1-oxidanyl-6-pyridin-4-yl-benzimidazole

Systemtic Name: methanesulfonic acid; 2-methyl-1-oxidanyl-6-pyridin-4-yl-benzimidazole Openeye Name: 1-hydroxy-2-methyl-6-(4-pyridyl)benzimidazole; methanesulfonic acid CAS Name: 1-hydroxy-2-methyl-6-pyridin-4-ylbenzimidazole; methanesulfonic acid IUPAC Name: 1-hydroxy-2-methyl-6-pyridin-4-ylbenzimidazole; methanesulfonic acid Traditional Name: 1-hydroxy-2-methyl-6-(4-pyridyl)benzimidazole; mesylic acid Formula: C15H19N3O7S2 MolecularWeight: 417.45726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1O)C=C(C=C2)C3=CC=NC=C3.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(N1O)C=C(C=C2)C3=CC=NC=C3.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C13H11N3O.2CH4O3S/c1-9-15-12-3-2-11(8-13(12)16(9)17)10-4-6-14-7-5-10;2*1-5(2,3)4/h2-8,17H,1H3;2*1H3,(H,2,3,4)