4-nitro-2-(phenylsulfinyl)benzoic acid

Systemtic Name: 4-nitro-2-(phenylsulfinyl)benzoic acid Openeye Name: 2-(benzenesulfinyl)-4-nitro-benzoic acid CAS Name: 2-(benzenesulfinyl)-4-nitrobenzoic acid IUPAC Name: 2-(benzenesulfinyl)-4-nitrobenzoic acid Traditional Name: 2-(benzenesulfinyl)-4-nitro-benzoic acid Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO5S/c15-13(16)11-7-6-9(14(17)18)8-12(11)20(19)10-4-2-1-3-5-10/h1-8H,(H,15,16)