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

Systemtic Name: 2-heptadecyl-1-(phenylmethyl)benzimidazole-4,5-disulfonic acid Openeye Name: 1-benzyl-2-heptadecyl-benzimidazole-4,5-disulfonic acid CAS Name: 2-heptadecyl-1-(phenylmethyl)benzimidazole-4,5-disulfonic acid IUPAC Name: 1-benzyl-2-heptadecylbenzimidazole-4,5-disulfonic acid Traditional Name: 1-benzyl-2-heptadecyl-benzimidazole-4,5-disulfonic acid Formula: C31H46N2O6S2 MolecularWeight: 606.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C31H46N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-32-30-27(33(29)25-26-20-17-16-18-21-26)23-24-28(40(34,35)36)31(30)41(37,38)39/h16-18,20-21,23-24H,2-15,19,22,25H2,1H3,(H,34,35,36)(H,37,38,39)