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

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)


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