1-[(4-tert-butylphenyl)methyl]benzimidazole-2-sulfonic acid

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]benzimidazole-2-sulfonic acid Openeye Name: 1-[(4-tert-butylphenyl)methyl]benzimidazole-2-sulfonic acid CAS Name: 1-[(4-tert-butylphenyl)methyl]-2-benzimidazolesulfonic acid IUPAC Name: 1-[(4-tert-butylphenyl)methyl]benzimidazole-2-sulfonic acid Traditional Name: 1-(4-tert-butylbenzyl)benzimidazole-2-sulfonic acid Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)O

InChI

InChI=1S/C18H20N2O3S/c1-18(2,3)14-10-8-13(9-11-14)12-20-16-7-5-4-6-15(16)19-17(20)24(21,22)23/h4-11H,12H2,1-3H3,(H,21,22,23)