3-(phenylmethyl)-2-(3-sulfooctadecyl)benzimidazole-5-sulfonic acid

Systemtic Name: 3-(phenylmethyl)-2-(3-sulfooctadecyl)benzimidazole-5-sulfonic acid Openeye Name: 3-benzyl-2-(3-sulfooctadecyl)benzimidazole-5-sulfonic acid CAS Name: 3-(phenylmethyl)-2-(3-sulfooctadecyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-benzyl-2-(3-sulfooctadecyl)benzimidazole-5-sulfonic acid Traditional Name: 3-benzyl-2-(3-sulfooctadecyl)benzimidazole-5-sulfonic acid Formula: C32H48N2O6S2 MolecularWeight: 620.86332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H48N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(41(35,36)37)22-24-32-33-30-23-21-29(42(38,39)40)25-31(30)34(32)26-27-18-15-14-16-19-27/h14-16,18-19,21,23,25,28H,2-13,17,20,22,24,26H2,1H3,(H,35,36,37)(H,38,39,40)