methyl 3-bromanyl-5-tert-butyl-2-methyl-6-oxidanyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-tert-butyl-2-methyl-6-oxidanyl-benzoate Openeye Name: methyl 5-bromo-3-tert-butyl-2-hydroxy-6-methyl-benzoate CAS Name: 5-bromo-3-tert-butyl-2-hydroxy-6-methylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-3-tert-butyl-2-hydroxy-6-methylbenzoate Traditional Name: 5-bromo-3-tert-butyl-2-hydroxy-6-methyl-benzoic acid methyl ester Formula: C13H17BrO3 MolecularWeight: 301.17628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)OC)O)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)OC)O)C(C)(C)C)Br

InChI

InChI=1S/C13H17BrO3/c1-7-9(14)6-8(13(2,3)4)11(15)10(7)12(16)17-5/h6,15H,1-5H3