2-[(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)methyl]benzoic acid

Systemtic Name: 2-[(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)methyl]benzoic acid Openeye Name: 2-[(4-bromo-2-tert-butyl-5-methyl-phenoxy)methyl]benzoic acid CAS Name: 2-[(4-bromo-2-tert-butyl-5-methylphenoxy)methyl]benzoic acid IUPAC Name: 2-[(4-bromo-2-tert-butyl-5-methylphenoxy)methyl]benzoic acid Traditional Name: 2-[(4-bromo-2-tert-butyl-5-methyl-phenoxy)methyl]benzoic acid Formula: C19H21BrO3 MolecularWeight: 377.27224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)(C)C)OCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)(C)C)OCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H21BrO3/c1-12-9-17(15(10-16(12)20)19(2,3)4)23-11-13-7-5-6-8-14(13)18(21)22/h5-10H,11H2,1-4H3,(H,21,22)