2-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)furan-3-sulfonic acid

Systemtic Name: 2-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)furan-3-sulfonic acid Openeye Name: 2-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)furan-3-sulfonic acid CAS Name: 2-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-furansulfonic acid IUPAC Name: 2-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)furan-3-sulfonic acid Traditional Name: 2-methyl-5-(3-methyl-1H-benzimidazol-3-ium-2-yl)furan-3-sulfonic acid Formula: C13H13N2O4S+ MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=[N+](C3=CC=CC=C3N2)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=[N+](C3=CC=CC=C3N2)C)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-8-12(20(16,17)18)7-11(19-8)13-14-9-5-3-4-6-10(9)15(13)2/h3-7H,1-2H3,(H,16,17,18)/p+1