1-(2-sulfanylidenehexadecyl)-2-(3-sulfopropyl)benzimidazole-5-sulfonic acid

Systemtic Name: 1-(2-sulfanylidenehexadecyl)-2-(3-sulfopropyl)benzimidazole-5-sulfonic acid Openeye Name: 2-(3-sulfopropyl)-1-(2-thioxohexadecyl)benzimidazole-5-sulfonic acid CAS Name: 1-(2-sulfanylidenehexadecyl)-2-(3-sulfopropyl)-5-benzimidazolesulfonic acid IUPAC Name: 1-(2-sulfanylidenehexadecyl)-2-(3-sulfopropyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(3-sulfopropyl)-1-(2-thioxohexadecyl)benzimidazole-5-sulfonic acid Formula: C26H42N2O6S3 MolecularWeight: 574.81648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)CN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)CN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1CCCS(=O)(=O)O

InChI

InChI=1S/C26H42N2O6S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22(35)21-28-25-18-17-23(37(32,33)34)20-24(25)27-26(28)16-14-19-36(29,30)31/h17-18,20H,2-16,19,21H2,1H3,(H,29,30,31)(H,32,33,34)