1-(4,4-dimethylpentyl)-3-methyl-2H-benzimidazole-5-sulfonic acid

Systemtic Name: 1-(4,4-dimethylpentyl)-3-methyl-2H-benzimidazole-5-sulfonic acid Openeye Name: 1-(4,4-dimethylpentyl)-3-methyl-2H-benzimidazole-5-sulfonic acid CAS Name: 1-(4,4-dimethylpentyl)-3-methyl-2H-benzimidazole-5-sulfonic acid IUPAC Name: 1-(4,4-dimethylpentyl)-3-methyl-2H-benzimidazole-5-sulfonic acid Traditional Name: 1-(4,4-dimethylpentyl)-3-methyl-2H-benzimidazole-5-sulfonic acid Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCN1CN(C2=C1C=CC(=C2)S(=O)(=O)O)C

Isomeric SMILES

CC(C)(C)CCCN1CN(C2=C1C=CC(=C2)S(=O)(=O)O)C

InChI

InChI=1S/C15H24N2O3S/c1-15(2,3)8-5-9-17-11-16(4)14-10-12(21(18,19)20)6-7-13(14)17/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,19,20)