2-(6-nitropyridin-3-yl)sulfanylbenzoic acid

Systemtic Name: 2-(6-nitropyridin-3-yl)sulfanylbenzoic acid Openeye Name: 2-[(6-nitro-3-pyridyl)sulfanyl]benzoic acid CAS Name: 2-[(6-nitro-3-pyridinyl)thio]benzoic acid IUPAC Name: 2-(6-nitropyridin-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(6-nitro-3-pyridyl)thio]benzoic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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