4-[(2-bromanyl-4-propan-2-yl-phenoxy)methyl]benzoic acid

Systemtic Name: 4-[(2-bromanyl-4-propan-2-yl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(2-bromo-4-isopropyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(2-bromo-4-propan-2-ylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(2-bromo-4-propan-2-ylphenoxy)methyl]benzoic acid Traditional Name: 4-[(2-bromo-4-isopropyl-phenoxy)methyl]benzoic acid Formula: C17H17BrO3 MolecularWeight: 349.21908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C17H17BrO3/c1-11(2)14-7-8-16(15(18)9-14)21-10-12-3-5-13(6-4-12)17(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)