3-(2-sulfanylidenepentadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid

Systemtic Name: 3-(2-sulfanylidenepentadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 2-(3-sulfobutyl)-3-(2-thioxopentadecyl)benzimidazole-5-sulfonic acid CAS Name: 3-(2-sulfanylidenepentadecyl)-2-(3-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-(2-sulfanylidenepentadecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(3-sulfobutyl)-3-(2-thioxopentadecyl)benzimidazole-5-sulfonic acid Formula: C26H42N2O6S3 MolecularWeight: 574.81648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=S)CN1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=S)CN1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

InChI

InChI=1S/C26H42N2O6S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(35)20-28-25-19-23(37(32,33)34)16-17-24(25)27-26(28)18-15-21(2)36(29,30)31/h16-17,19,21H,3-15,18,20H2,1-2H3,(H,29,30,31)(H,32,33,34)