2-heptadecyl-3-(phenylmethyl)-2H-benzimidazole-1,7-disulfonic acid

Systemtic Name: 2-heptadecyl-3-(phenylmethyl)-2H-benzimidazole-1,7-disulfonic acid Openeye Name: 3-benzyl-2-heptadecyl-2H-benzimidazole-1,7-disulfonic acid CAS Name: 2-heptadecyl-3-(phenylmethyl)-2H-benzimidazole-1,7-disulfonic acid IUPAC Name: 3-benzyl-2-heptadecyl-2H-benzimidazole-1,7-disulfonic acid Traditional Name: 3-benzyl-2-heptadecyl-2H-benzimidazole-1,7-disulfonic acid Formula: C31H48N2O6S2 MolecularWeight: 608.85262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1N(C2=C(N1S(=O)(=O)O)C(=CC=C2)S(=O)(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1N(C2=C(N1S(=O)(=O)O)C(=CC=C2)S(=O)(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C31H48N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-30-32(26-27-21-17-16-18-22-27)28-23-20-24-29(40(34,35)36)31(28)33(30)41(37,38)39/h16-18,20-24,30H,2-15,19,25-26H2,1H3,(H,34,35,36)(H,37,38,39)