4-(3-nitropyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(3-nitropyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(3-nitro-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(3-nitro-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(3-nitropyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(3-nitro-2-pyridyl)thio]benzoic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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