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

Systemtic Name: 3-dodecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 3-(1-methylundecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid CAS Name: 3-dodecan-2-yl-2-(3-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-dodecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 3-(1-methylundecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Formula: C23H38N2O6S2 MolecularWeight: 502.68762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O6S2/c1-4-5-6-7-8-9-10-11-12-18(2)25-22-17-20(33(29,30)31)14-15-21(22)24-23(25)16-13-19(3)32(26,27)28/h14-15,17-19H,4-13,16H2,1-3H3,(H,26,27,28)(H,29,30,31)