4-(5-nitropyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(5-nitropyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(5-nitro-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(5-nitro-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(5-nitropyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(5-nitro-2-pyridyl)thio]benzoic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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