1-(2-sulfanylidenedodecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid

Systemtic Name: 1-(2-sulfanylidenedodecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Openeye Name: 2-(3-sulfobutyl)-1-(2-thioxododecyl)benzimidazole-5-sulfonic acid CAS Name: 1-(2-sulfanylidenedodecyl)-2-(3-sulfobutyl)-5-benzimidazolesulfonic acid IUPAC Name: 1-(2-sulfanylidenedodecyl)-2-(3-sulfobutyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(3-sulfobutyl)-1-(2-thioxododecyl)benzimidazole-5-sulfonic acid Formula: C23H36N2O6S3 MolecularWeight: 532.73674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=S)CN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(=S)CN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1CCC(C)S(=O)(=O)O

InChI

InChI=1S/C23H36N2O6S3/c1-3-4-5-6-7-8-9-10-11-19(32)17-25-22-14-13-20(34(29,30)31)16-21(22)24-23(25)15-12-18(2)33(26,27)28/h13-14,16,18H,3-12,15,17H2,1-2H3,(H,26,27,28)(H,29,30,31)