3-bromanyl-3,5-ditert-butyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-bromanyl-3,5-ditert-butyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-bromo-3,5-ditert-butyl-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-bromo-3,5-ditert-butyl-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-bromo-3,5-ditert-butyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-bromo-3,5-ditert-butyl-4-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C15H21BrO3 MolecularWeight: 329.22944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(C1=O)(C(C)(C)C)Br)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(C1=O)(C(C)(C)C)Br)C(=O)O

InChI

InChI=1S/C15H21BrO3/c1-13(2,3)10-7-9(12(18)19)8-15(16,11(10)17)14(4,5)6/h7-8H,1-6H3,(H,18,19)