3-heptadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid

Systemtic Name: 3-heptadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 3-(1-methylhexadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid CAS Name: 3-heptadecan-2-yl-2-(3-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-heptadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 3-(1-methylhexadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Formula: C28H48N2O6S2 MolecularWeight: 572.82052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)N1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)N1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

InChI

InChI=1S/C28H48N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(2)30-27-22-25(38(34,35)36)19-20-26(27)29-28(30)21-18-24(3)37(31,32)33/h19-20,22-24H,4-18,21H2,1-3H3,(H,31,32,33)(H,34,35,36)