3,5-bis(phenylmethoxy)-4-[2-phenylmethoxy-6-(trifluoromethylsulfonylamino)phenyl]carbonyl-benzoic acid

Systemtic Name: 3,5-bis(phenylmethoxy)-4-[2-phenylmethoxy-6-(trifluoromethylsulfonylamino)phenyl]carbonyl-benzoic acid Openeye Name: 3,5-dibenzyloxy-4-[2-benzyloxy-6-(trifluoromethylsulfonylamino)benzoyl]benzoic acid CAS Name: 4-[oxo-[2-phenylmethoxy-6-(trifluoromethylsulfonylamino)phenyl]methyl]-3,5-bis(phenylmethoxy)benzoic acid IUPAC Name: 3,5-bis(phenylmethoxy)-4-[2-phenylmethoxy-6-(trifluoromethylsulfonylamino)benzoyl]benzoic acid Traditional Name: 3,5-dibenzoxy-4-[2-benzoxy-6-(triflylamino)benzoyl]benzoic acid Formula: C36H28F3NO8S MolecularWeight: 691.66963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C36H28F3NO8S/c37-36(38,39)49(44,45)40-28-17-10-18-29(46-21-24-11-4-1-5-12-24)32(28)34(41)33-30(47-22-25-13-6-2-7-14-25)19-27(35(42)43)20-31(33)48-23-26-15-8-3-9-16-26/h1-20,40H,21-23H2,(H,42,43)