2-butyl-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-butyl-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-butyl-3H-benzimidazole-5-sulfonic acid CAS Name: 2-butyl-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-butyl-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-butyl-3H-benzimidazole-5-sulfonic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H14N2O3S/c1-2-3-4-11-12-9-6-5-8(17(14,15)16)7-10(9)13-11/h5-7H,2-4H2,1H3,(H,12,13)(H,14,15,16)