2-[4-oxidanyl-3-(phenylmethyl)-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[4-oxidanyl-3-(phenylmethyl)-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-(3-benzyl-4-hydroxy-2H-chromen-7-yl)-4-(trifluoromethyl)benzoic acid CAS Name: 2-[4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-(3-benzyl-4-hydroxy-2H-chromen-7-yl)-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(3-benzyl-4-hydroxy-2H-chromen-7-yl)-4-(trifluoromethyl)benzoic acid Formula: C24H17F3O4 MolecularWeight: 426.38459

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(=C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H17F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,28H,10,13H2,(H,29,30)