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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)OCC1(CC4=CC=CC=C4)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)OCC1(CC4=CC=CC=C4)O

InChI

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