2-[(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)methyl]benzoic acid

Systemtic Name: 2-[(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)methyl]benzoic acid Openeye Name: 2-[(4-bromo-2-tert-butyl-6-methyl-phenoxy)methyl]benzoic acid CAS Name: 2-[(4-bromo-2-tert-butyl-6-methylphenoxy)methyl]benzoic acid IUPAC Name: 2-[(4-bromo-2-tert-butyl-6-methylphenoxy)methyl]benzoic acid Traditional Name: 2-[(4-bromo-2-tert-butyl-6-methyl-phenoxy)methyl]benzoic acid Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2C(=O)O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2C(=O)O)C(C)(C)C)Br

InChI

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