2-octadecyl-1-(phenylmethyl)benzimidazole-4,5-disulfonic acid

Systemtic Name: 2-octadecyl-1-(phenylmethyl)benzimidazole-4,5-disulfonic acid Openeye Name: 1-benzyl-2-octadecyl-benzimidazole-4,5-disulfonic acid CAS Name: 2-octadecyl-1-(phenylmethyl)benzimidazole-4,5-disulfonic acid IUPAC Name: 1-benzyl-2-octadecylbenzimidazole-4,5-disulfonic acid Traditional Name: 1-benzyl-2-stearyl-benzimidazole-4,5-disulfonic acid Formula: C32H48N2O6S2 MolecularWeight: 620.86332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H48N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-33-31-28(34(30)26-27-21-18-17-19-22-27)24-25-29(41(35,36)37)32(31)42(38,39)40/h17-19,21-22,24-25H,2-16,20,23,26H2,1H3,(H,35,36,37)(H,38,39,40)