6-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]chromen-2-one CAS Name: 6-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]coumarin Formula: C26H21F3O2 MolecularWeight: 422.43895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H21F3O2/c1-25(2,3)20-12-13-23-22(14-20)21(15-24(30)31-23)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,1-3H3