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1-(3-methylbutyl)benzimidazole-2-sulfonate

1-(3-methylbutyl)benzimidazole-2-sulfonate

Systemtic Name:1-(3-methylbutyl)benzimidazole-2-sulfonate
Openeye Name:1-isopentylbenzimidazole-2-sulfonate
CAS Name:1-(3-methylbutyl)-2-benzimidazolesulfonate
IUPAC Name:1-(3-methylbutyl)benzimidazole-2-sulfonate
Traditional Name:1-isoamylbenzimidazole-2-sulfonate
Formula: C12H15N2O3S-
MolecularWeight: 267.3241
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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)/p-1


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