3-nitro-4-pyridin-2-ylsulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-pyridin-2-ylsulfanyl-benzoic acid Openeye Name: 3-nitro-4-(2-pyridylsulfanyl)benzoic acid CAS Name: 3-nitro-4-(2-pyridinylthio)benzoic acid IUPAC Name: 3-nitro-4-pyridin-2-ylsulfanylbenzoic acid Traditional Name: 3-nitro-4-(2-pyridylthio)benzoic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O4S/c15-12(16)8-4-5-10(9(7-8)14(17)18)19-11-3-1-2-6-13-11/h1-7H,(H,15,16)