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

Systemtic Name: 2-[2-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-(3-benzyl-2-hydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid CAS Name: 2-[2-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-(3-benzyl-2-hydroxy-3,4-dihydro-2H-chromen-7-yl)-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(3-benzyl-2-hydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid Formula: C24H19F3O4 MolecularWeight: 428.40047

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=C1C=CC(=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(C(OC2=C1C=CC(=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H19F3O4/c25-24(26,27)18-8-9-19(22(28)29)20(13-18)15-6-7-16-11-17(23(30)31-21(16)12-15)10-14-4-2-1-3-5-14/h1-9,12-13,17,23,30H,10-11H2,(H,28,29)