2-pentadecylsulfanyl-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid

Systemtic Name: 2-pentadecylsulfanyl-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid Openeye Name: 2-pentadecylsulfanyl-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid CAS Name: 2-(pentadecylthio)-1-(2-sulfoethyl)-5-benzimidazolesulfonic acid IUPAC Name: 2-pentadecylsulfanyl-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid Traditional Name: 2-(pentadecylthio)-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid Formula: C24H40N2O6S3 MolecularWeight: 548.7792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=NC2=C(N1CCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=NC2=C(N1CCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C24H40N2O6S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-33-24-25-22-20-21(35(30,31)32)15-16-23(22)26(24)17-19-34(27,28)29/h15-16,20H,2-14,17-19H2,1H3,(H,27,28,29)(H,30,31,32)