ethyl 6-bromanyl-2-oxidanyl-2-(trifluoromethyl)chromene-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-oxidanyl-2-(trifluoromethyl)chromene-3-carboxylate Openeye Name: ethyl 6-bromo-2-hydroxy-2-(trifluoromethyl)chromene-3-carboxylate CAS Name: 6-bromo-2-hydroxy-2-(trifluoromethyl)-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-hydroxy-2-(trifluoromethyl)chromene-3-carboxylate Traditional Name: 6-bromo-2-hydroxy-2-(trifluoromethyl)chromene-3-carboxylic acid ethyl ester Formula: C13H10BrF3O4 MolecularWeight: 367.11531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1(C(F)(F)F)O

InChI

InChI=1S/C13H10BrF3O4/c1-2-20-11(18)9-6-7-5-8(14)3-4-10(7)21-12(9,19)13(15,16)17/h3-6,19H,2H2,1H3