5-[(1S)-1-(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)ethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)ethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(2-bromo-6-tert-butyl-4-methyl-phenoxy)ethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-(2-bromo-6-tert-butyl-4-methylphenoxy)ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(2-bromo-6-tert-butyl-4-methylphenoxy)ethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-(2-bromo-6-tert-butyl-4-methyl-phenoxy)ethyl]-2-furoic acid Formula: C18H21BrO4 MolecularWeight: 381.26094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OC(C)C2=CC=C(O2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)O[C@@H](C)C2=CC=C(O2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C18H21BrO4/c1-10-8-12(18(3,4)5)16(13(19)9-10)22-11(2)14-6-7-15(23-14)17(20)21/h6-9,11H,1-5H3,(H,20,21)/t11-/m0/s1