3-ethyl-7-oxidanyl-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 3-ethyl-7-oxidanyl-4-(trifluoromethyl)chromen-2-one Openeye Name: 3-ethyl-7-hydroxy-4-(trifluoromethyl)chromen-2-one CAS Name: 3-ethyl-7-hydroxy-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 3-ethyl-7-hydroxy-4-(trifluoromethyl)chromen-2-one Traditional Name: 3-ethyl-7-hydroxy-4-(trifluoromethyl)coumarin Formula: C12H9F3O3 MolecularWeight: 258.19327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C(F)(F)F

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C(F)(F)F

InChI

InChI=1S/C12H9F3O3/c1-2-7-10(12(13,14)15)8-4-3-6(16)5-9(8)18-11(7)17/h3-5,16H,2H2,1H3