2-[3,4-bis(oxidanyl)-3-(phenylmethyl)-2,4-dihydrochromen-7-yl]-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[3,4-bis(oxidanyl)-3-(phenylmethyl)-2,4-dihydrochromen-7-yl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-(3-benzyl-3,4-dihydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid CAS Name: 2-[3,4-dihydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-(3-benzyl-3,4-dihydroxy-2,4-dihydrochromen-7-yl)-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(3-benzyl-3,4-dihydroxy-chroman-7-yl)-4-(trifluoromethyl)benzoic acid Formula: C24H19F3O5 MolecularWeight: 444.39987

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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)O

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)O

InChI

InChI=1S/C24H19F3O5/c25-24(26,27)16-7-9-17(22(29)30)19(11-16)15-6-8-18-20(10-15)32-13-23(31,21(18)28)12-14-4-2-1-3-5-14/h1-11,21,28,31H,12-13H2,(H,29,30)