2-methyl-1-octadecyl-benzimidazole-5-sulfonic acid

Systemtic Name: 2-methyl-1-octadecyl-benzimidazole-5-sulfonic acid Openeye Name: 2-methyl-1-octadecyl-benzimidazole-5-sulfonic acid CAS Name: 2-methyl-1-octadecyl-5-benzimidazolesulfonic acid IUPAC Name: 2-methyl-1-octadecylbenzimidazole-5-sulfonic acid Traditional Name: 2-methyl-1-stearyl-benzimidazole-5-sulfonic acid Formula: C26H44N2O3S MolecularWeight: 464.70416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)O)C

InChI

InChI=1S/C26H44N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(2)27-25-22-24(32(29,30)31)19-20-26(25)28/h19-20,22H,3-18,21H2,1-2H3,(H,29,30,31)