2-(2-sulfanylideneheptadecyl)-3-(2-sulfoethyl)benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2-sulfanylideneheptadecyl)-3-(2-sulfoethyl)benzimidazole-5-sulfonic acid Openeye Name: 3-(2-sulfoethyl)-2-(2-thioxoheptadecyl)benzimidazole-5-sulfonic acid CAS Name: 2-(2-sulfanylideneheptadecyl)-3-(2-sulfoethyl)-5-benzimidazolesulfonic acid IUPAC Name: 2-(2-sulfanylideneheptadecyl)-3-(2-sulfoethyl)benzimidazole-5-sulfonic acid Traditional Name: 3-(2-sulfoethyl)-2-(2-thioxoheptadecyl)benzimidazole-5-sulfonic acid Formula: C26H42N2O6S3 MolecularWeight: 574.81648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=S)CC1=NC2=C(N1CCS(=O)(=O)O)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=S)CC1=NC2=C(N1CCS(=O)(=O)O)C=C(C=C2)S(=O)(=O)O

InChI

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