2-(3-fluoranyl-4-phenylmethoxy-phenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid

Systemtic Name: 2-(3-fluoranyl-4-phenylmethoxy-phenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid Openeye Name: 2-(4-benzyloxy-3-fluoro-phenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid CAS Name: 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid IUPAC Name: 2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxybenzoic acid Traditional Name: 2-(4-benzoxy-3-fluoro-phenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxy-benzoic acid Formula: C28H23FO6 MolecularWeight: 474.477023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F

InChI

InChI=1S/C28H23FO6/c1-33-24-15-21(18-8-11-20(30)12-9-18)27(34-2)26(28(31)32)25(24)19-10-13-23(22(29)14-19)35-16-17-6-4-3-5-7-17/h3-15,30H,16H2,1-2H3,(H,31,32)