2-dodecylsulfanyl-3-(4-sulfobutyl)benzimidazole-5-sulfonic acid

Systemtic Name: 2-dodecylsulfanyl-3-(4-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 2-dodecylsulfanyl-3-(4-sulfobutyl)benzimidazole-5-sulfonic acid CAS Name: 2-(dodecylthio)-3-(4-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 2-dodecylsulfanyl-3-(4-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(laurylthio)-3-(4-sulfobutyl)benzimidazole-5-sulfonic acid Formula: C23H38N2O6S3 MolecularWeight: 534.75262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CCCCS(=O)(=O)O)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CCCCS(=O)(=O)O)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C23H38N2O6S3/c1-2-3-4-5-6-7-8-9-10-12-17-32-23-24-21-15-14-20(34(29,30)31)19-22(21)25(23)16-11-13-18-33(26,27)28/h14-15,19H,2-13,16-18H2,1H3,(H,26,27,28)(H,29,30,31)