3-[(2-bromanyl-4-tert-butyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(2-bromanyl-4-tert-butyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(2-bromo-4-tert-butyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid Traditional Name: 3-[(2-bromo-4-tert-butyl-phenoxy)methyl]benzoic acid Formula: C18H19BrO3 MolecularWeight: 363.24566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrO3/c1-18(2,3)14-7-8-16(15(19)10-14)22-11-12-5-4-6-13(9-12)17(20)21/h4-10H,11H2,1-3H3,(H,20,21)