3-(2-sulfanylidenedodecyl)-2-(3-sulfopentyl)benzimidazole-5-sulfonic acid

Systemtic Name: 3-(2-sulfanylidenedodecyl)-2-(3-sulfopentyl)benzimidazole-5-sulfonic acid Openeye Name: 2-(3-sulfopentyl)-3-(2-thioxododecyl)benzimidazole-5-sulfonic acid CAS Name: 3-(2-sulfanylidenedodecyl)-2-(3-sulfopentyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-(2-sulfanylidenedodecyl)-2-(3-sulfopentyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(3-sulfopentyl)-3-(2-thioxododecyl)benzimidazole-5-sulfonic acid Formula: C24H38N2O6S3 MolecularWeight: 546.76332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O6S3/c1-3-5-6-7-8-9-10-11-12-19(33)18-26-23-17-21(35(30,31)32)13-15-22(23)25-24(26)16-14-20(4-2)34(27,28)29/h13,15,17,20H,3-12,14,16,18H2,1-2H3,(H,27,28,29)(H,30,31,32)