[3,5-dimethyl-2-(2-methyl-4-oxidanylidene-butan-2-yl)phenyl] 4-bromanylbutanoate

Systemtic Name: [3,5-dimethyl-2-(2-methyl-4-oxidanylidene-butan-2-yl)phenyl] 4-bromanylbutanoate Openeye Name: [2-(1,1-dimethyl-3-oxo-propyl)-3,5-dimethyl-phenyl] 4-bromobutanoate CAS Name: 4-bromobutanoic acid [3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] ester IUPAC Name: [3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenyl] 4-bromobutanoate Traditional Name: 4-bromobutyric acid [2-(3-keto-1,1-dimethyl-propyl)-3,5-dimethyl-phenyl] ester Formula: C17H23BrO3 MolecularWeight: 355.26672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)CCCBr)C(C)(C)CC=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)CCCBr)C(C)(C)CC=O)C

InChI

InChI=1S/C17H23BrO3/c1-12-10-13(2)16(17(3,4)7-9-19)14(11-12)21-15(20)6-5-8-18/h9-11H,5-8H2,1-4H3