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2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]butanoate

2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]butanoate

Systemtic Name:2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]butanoate
Openeye Name:2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanyl]butanoate
CAS Name:2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]butanoate
IUPAC Name:2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanyl]butanoate
Traditional Name:2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]butyrate
Formula: C11H11BrN2O2S
MolecularWeight: 315.18624
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=[NH+]C2=C(N1)C=C(C=C2)Br


Isomeric SMILES

CCC(C(=O)[O-])SC1=[NH+]C2=C(N1)C=C(C=C2)Br


InChI

InChI=1S/C11H11BrN2O2S/c1-2-9(10(15)16)17-11-13-7-4-3-6(12)5-8(7)14-11/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)


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