3-nitro-4-(4-nitro-3-oxidanyl-phenyl)sulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-(4-nitro-3-oxidanyl-phenyl)sulfanyl-benzoic acid Openeye Name: 4-(3-hydroxy-4-nitro-phenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(3-hydroxy-4-nitrophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(3-hydroxy-4-nitrophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(3-hydroxy-4-nitro-phenyl)thio]-3-nitro-benzoic acid Formula: C13H8N2O7S MolecularWeight: 336.27682

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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)