1-(3-methylbutyl)benzimidazole-2-sulfonic acid

Systemtic Name: 1-(3-methylbutyl)benzimidazole-2-sulfonic acid Openeye Name: 1-isopentylbenzimidazole-2-sulfonic acid CAS Name: 1-(3-methylbutyl)-2-benzimidazolesulfonic acid IUPAC Name: 1-(3-methylbutyl)benzimidazole-2-sulfonic acid Traditional Name: 1-isoamylbenzimidazole-2-sulfonic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1S(=O)(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1S(=O)(=O)O

InChI

InChI=1S/C12H16N2O3S/c1-9(2)7-8-14-11-6-4-3-5-10(11)13-12(14)18(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)