4-(bromomethyl)-3-(3-tert-butyl-4-methoxy-phenyl)carbonyloxy-benzoic acid

Systemtic Name: 4-(bromomethyl)-3-(3-tert-butyl-4-methoxy-phenyl)carbonyloxy-benzoic acid Openeye Name: 4-(bromomethyl)-3-(3-tert-butyl-4-methoxy-benzoyl)oxy-benzoic acid CAS Name: 4-(bromomethyl)-3-[(3-tert-butyl-4-methoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 4-(bromomethyl)-3-(3-tert-butyl-4-methoxybenzoyl)oxybenzoic acid Traditional Name: 4-(bromomethyl)-3-(3-tert-butyl-4-methoxy-benzoyl)oxy-benzoic acid Formula: C20H21BrO5 MolecularWeight: 421.28174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)OC2=C(C=CC(=C2)C(=O)O)CBr)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)OC2=C(C=CC(=C2)C(=O)O)CBr)OC

InChI

InChI=1S/C20H21BrO5/c1-20(2,3)15-9-13(7-8-16(15)25-4)19(24)26-17-10-12(18(22)23)5-6-14(17)11-21/h5-10H,11H2,1-4H3,(H,22,23)