4-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]benzoic acid

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(4-bromo-3,5-dimethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(4-bromo-3,5-dimethyl-phenoxy)methyl]benzoic acid Formula: C16H15BrO3 MolecularWeight: 335.1925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15BrO3/c1-10-7-14(8-11(2)15(10)17)20-9-12-3-5-13(6-4-12)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)