2-fluoranyl-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Openeye Name: 2-fluoro-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid CAS Name: 2-fluoro-5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid IUPAC Name: 2-fluoro-5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid Traditional Name: 2-fluoro-5-[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=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

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

InChI

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