3-nitro-4-(4-nitro-3-oxidanidyl-phenyl)sulfanyl-benzoate

Systemtic Name: 3-nitro-4-(4-nitro-3-oxidanidyl-phenyl)sulfanyl-benzoate Openeye Name: 3-nitro-4-(4-nitro-3-oxido-phenyl)sulfanyl-benzoate CAS Name: 3-nitro-4-[(4-nitro-3-oxidophenyl)thio]benzoate IUPAC Name: 3-nitro-4-(4-nitro-3-oxidophenyl)sulfanylbenzoate Traditional Name: 3-nitro-4-[(4-nitro-3-oxido-phenyl)thio]benzoate Formula: C13H6N2O7S-2 MolecularWeight: 334.26094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H8N2O7S/c16-11-6-8(2-3-9(11)14(19)20)23-12-4-1-7(13(17)18)5-10(12)15(21)22/h1-6,16H,(H,17,18)/p-2