(4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-bromanylfuran-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-bromanylfuran-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C18H21BrO3 MolecularWeight: 365.26154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(O2)Br)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(O2)Br)C)C(C)(C)C

InChI

InChI=1S/C18H21BrO3/c1-11-8-13(18(3,4)5)9-12(2)14(11)10-21-17(20)15-6-7-16(19)22-15/h6-9H,10H2,1-5H3