2-dodecylsulfanyl-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-dodecylsulfanyl-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-dodecylsulfanyl-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(dodecylthio)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-dodecylsulfanyl-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(laurylthio)-3H-benzimidazole-5-sulfonic acid Formula: C19H30N2O3S2 MolecularWeight: 398.5831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C19H30N2O3S2/c1-2-3-4-5-6-7-8-9-10-11-14-25-19-20-17-13-12-16(26(22,23)24)15-18(17)21-19/h12-13,15H,2-11,14H2,1H3,(H,20,21)(H,22,23,24)