2-[(5-nitro-2-oxidanidyl-phenyl)methylsulfanyl]benzoate

Systemtic Name: 2-[(5-nitro-2-oxidanidyl-phenyl)methylsulfanyl]benzoate Openeye Name: 2-[(5-nitro-2-oxido-phenyl)methylsulfanyl]benzoate CAS Name: 2-[(5-nitro-2-oxidophenyl)methylthio]benzoate IUPAC Name: 2-[(5-nitro-2-oxidophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(5-nitro-2-oxido-benzyl)thio]benzoate Formula: C14H9NO5S-2 MolecularWeight: 303.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H11NO5S/c16-12-6-5-10(15(19)20)7-9(12)8-21-13-4-2-1-3-11(13)14(17)18/h1-7,16H,8H2,(H,17,18)/p-2