6-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 6-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(4-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[(4-nitrophenyl)thio]nicotinic 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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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