2-[4-oxidanyl-8-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[4-oxidanyl-8-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-(8-benzyl-4-hydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid CAS Name: 2-[4-hydroxy-8-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-(8-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl)-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(8-benzyl-4-hydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid Formula: C24H19F3O4 MolecularWeight: 428.40047

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1O)C=CC(=C2CC3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1COC2=C(C1O)C=CC(=C2CC3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)C(=O)O

InChI

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