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

Systemtic Name: 3-(2-sulfanylidenedodecyl)-2-(3-sulfopropyl)benzimidazole-5-sulfonic acid Openeye Name: 2-(3-sulfopropyl)-3-(2-thioxododecyl)benzimidazole-5-sulfonic acid CAS Name: 3-(2-sulfanylidenedodecyl)-2-(3-sulfopropyl)-5-benzimidazolesulfonic acid IUPAC Name: 3-(2-sulfanylidenedodecyl)-2-(3-sulfopropyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(3-sulfopropyl)-3-(2-thioxododecyl)benzimidazole-5-sulfonic acid Formula: C22H34N2O6S3 MolecularWeight: 518.71016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=S)CN1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(=S)CN1C2=C(C=CC(=C2)S(=O)(=O)O)N=C1CCCS(=O)(=O)O

InChI

InChI=1S/C22H34N2O6S3/c1-2-3-4-5-6-7-8-9-11-18(31)17-24-21-16-19(33(28,29)30)13-14-20(21)23-22(24)12-10-15-32(25,26)27/h13-14,16H,2-12,15,17H2,1H3,(H,25,26,27)(H,28,29,30)