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

Systemtic Name: 4-fluoranyl-3-[2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 3-(2-benzylphenoxy)sulfonyl-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-[2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 3-(2-benzylphenoxy)sulfonyl-4-fluorobenzoic acid Traditional Name: 3-(2-benzylphenoxy)sulfonyl-4-fluoro-benzoic acid Formula: C20H15FO5S MolecularWeight: 386.393503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C20H15FO5S/c21-17-11-10-16(20(22)23)13-19(17)27(24,25)26-18-9-5-4-8-15(18)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,23)