2-octadecyl-1-(phenylmethyl)-3H-benzimidazole-2,4-disulfonic acid

Systemtic Name: 2-octadecyl-1-(phenylmethyl)-3H-benzimidazole-2,4-disulfonic acid Openeye Name: 1-benzyl-2-octadecyl-3H-benzimidazole-2,4-disulfonic acid CAS Name: 2-octadecyl-1-(phenylmethyl)-3H-benzimidazole-2,4-disulfonic acid IUPAC Name: 1-benzyl-2-octadecyl-3H-benzimidazole-2,4-disulfonic acid Traditional Name: 1-benzyl-2-stearyl-3H-benzimidazole-2,4-disulfonic acid Formula: C32H50N2O6S2 MolecularWeight: 622.8792

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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/C32H50N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-32(42(38,39)40)33-31-29(24-21-25-30(31)41(35,36)37)34(32)27-28-22-18-17-19-23-28/h17-19,21-25,33H,2-16,20,26-27H2,1H3,(H,35,36,37)(H,38,39,40)