1H-benzimidazol-2-yl(butylsulfanyl)methanesulfonic acid

Systemtic Name: 1H-benzimidazol-2-yl(butylsulfanyl)methanesulfonic acid Openeye Name: 1H-benzimidazol-2-yl(butylsulfanyl)methanesulfonic acid CAS Name: 1H-benzimidazol-2-yl-(butylthio)methanesulfonic acid IUPAC Name: 1H-benzimidazol-2-yl(butylsulfanyl)methanesulfonic acid Traditional Name: 1H-benzimidazol-2-yl-(butylthio)methanesulfonic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=NC2=CC=CC=C2N1)S(=O)(=O)O

Isomeric SMILES

CCCCSC(C1=NC2=CC=CC=C2N1)S(=O)(=O)O

InChI

InChI=1S/C12H16N2O3S2/c1-2-3-8-18-12(19(15,16)17)11-13-9-6-4-5-7-10(9)14-11/h4-7,12H,2-3,8H2,1H3,(H,13,14)(H,15,16,17)