3-(2-methylphenyl)-4-oxidanyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-methylphenyl)-4-oxidanyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(o-tolyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methylphenyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methylphenyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(o-tolyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C17H15F3O3 MolecularWeight: 324.29441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(OC3CC(=O)CCC3=C2O)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(OC3CC(=O)CCC3=C2O)C(F)(F)F

InChI

InChI=1S/C17H15F3O3/c1-9-4-2-3-5-11(9)14-15(22)12-7-6-10(21)8-13(12)23-16(14)17(18,19)20/h2-5,13,22H,6-8H2,1H3