2-nitro-5-[(4-nitro-3-oxidanyl-phenyl)disulfanyl]benzoic acid

Systemtic Name: 2-nitro-5-[(4-nitro-3-oxidanyl-phenyl)disulfanyl]benzoic acid Openeye Name: 5-[(3-hydroxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid CAS Name: 5-[(3-hydroxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid IUPAC Name: 5-[(3-hydroxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[(3-hydroxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid Formula: C13H8N2O7S2 MolecularWeight: 368.34182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7S2/c16-12-6-8(2-4-11(12)15(21)22)24-23-7-1-3-10(14(19)20)9(5-7)13(17)18/h1-6,16H,(H,17,18)