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4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid

4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name:4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
Openeye Name:4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
CAS Name:4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]benzoic acid
IUPAC Name:4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
Traditional Name:4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]benzoic acid
Formula: C15H11N3O4S
MolecularWeight: 329.33054
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C15H11N3O4S/c19-14(20)10-3-1-9(2-4-10)8-23-15-16-12-6-5-11(18(21)22)7-13(12)17-15/h1-7H,8H2,(H,16,17)(H,19,20)


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