5-[4-(3-fluoranyl-4-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 5-[4-(3-fluoranyl-4-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[4-(3-fluoro-4-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]benzoic acid CAS Name: 5-[4-(3-fluoro-4-methylsulfonyloxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[4-(3-fluoro-4-methylsulfonyloxyphenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[4-(3-fluoro-4-methylsulfonyloxy-phenyl)-2,5-dimethoxy-phenyl]benzoic acid Formula: C29H25FO8S MolecularWeight: 552.567403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)O)OC)C4=CC(=C(C=C4)OS(=O)(=O)C)F

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)O)OC)C4=CC(=C(C=C4)OS(=O)(=O)C)F

InChI

InChI=1S/C29H25FO8S/c1-35-27-16-22(20-10-12-26(24(30)14-20)38-39(3,33)34)28(36-2)15-21(27)19-9-11-25(23(13-19)29(31)32)37-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,31,32)