2-(4-nitrophenyl)sulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)sulfanylpyridine-4-carboxylic acid Openeye Name: 2-(4-nitrophenyl)sulfanylpyridine-4-carboxylic acid CAS Name: 2-[(4-nitrophenyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-(4-nitrophenyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[(4-nitrophenyl)thio]isonicotinic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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