2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[2-(ethylthio)ethylthio]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(2-ethylsulfanylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[2-(ethylthio)ethylthio]-3H-benzimidazole-5-sulfonic acid Formula: C11H14N2O3S3 MolecularWeight: 318.43546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCSCCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H14N2O3S3/c1-2-17-5-6-18-11-12-9-4-3-8(19(14,15)16)7-10(9)13-11/h3-4,7H,2,5-6H2,1H3,(H,12,13)(H,14,15,16)