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

Systemtic Name: 3-pentadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 3-(1-methyltetradecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid CAS Name: 3-pentadecan-2-yl-2-(3-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-pentadecan-2-yl-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 3-(1-methyltetradecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Formula: C26H44N2O6S2 MolecularWeight: 544.76736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(2)28-25-20-23(36(32,33)34)17-18-24(25)27-26(28)19-16-22(3)35(29,30)31/h17-18,20-22H,4-16,19H2,1-3H3,(H,29,30,31)(H,32,33,34)