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

Systemtic Name: 2-pentadecylsulfanyl-1-(3-sulfopropyl)benzimidazole-5-sulfonic acid Openeye Name: 2-pentadecylsulfanyl-1-(3-sulfopropyl)benzimidazole-5-sulfonic acid CAS Name: 2-(pentadecylthio)-1-(3-sulfopropyl)-5-benzimidazolesulfonic acid IUPAC Name: 2-pentadecylsulfanyl-1-(3-sulfopropyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(pentadecylthio)-1-(3-sulfopropyl)benzimidazole-5-sulfonic acid Formula: C25H42N2O6S3 MolecularWeight: 562.80578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=NC2=C(N1CCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=NC2=C(N1CCCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C25H42N2O6S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34-25-26-23-21-22(36(31,32)33)16-17-24(23)27(25)18-15-20-35(28,29)30/h16-17,21H,2-15,18-20H2,1H3,(H,28,29,30)(H,31,32,33)