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2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]ethanoic acid

2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name:2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]ethanoic acid
Openeye Name:2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CAS Name:2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]acetic acid
IUPAC Name:2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
Traditional Name:2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]acetic acid
Formula: C10H9N3O4S
MolecularWeight: 267.26116
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSCC(=O)O


Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSCC(=O)O


InChI

InChI=1S/C10H9N3O4S/c14-10(15)5-18-4-9-11-7-2-1-6(13(16)17)3-8(7)12-9/h1-3H,4-5H2,(H,11,12)(H,14,15)


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