5-[[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-bromo-4-(1,1-dimethylpropyl)phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-tert-amyl-2-bromo-phenoxy)methyl]-2-furoic acid Formula: C17H19BrO4 MolecularWeight: 367.23436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Br

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Br

InChI

InChI=1S/C17H19BrO4/c1-4-17(2,3)11-5-7-14(13(18)9-11)21-10-12-6-8-15(22-12)16(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)