4-fluoranyl-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid IUPAC Name: 4-fluoro-3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Formula: C20H14FNO8S MolecularWeight: 447.390463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C20H14FNO8S/c1-29-15-6-2-12(3-7-15)16-11-14(22(25)26)5-9-18(16)30-31(27,28)19-10-13(20(23)24)4-8-17(19)21/h2-11H,1H3,(H,23,24)