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

Systemtic Name: 3-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(4-bromo-2-tert-butyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(4-bromo-2-tert-butylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-2-tert-butylphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-bromo-2-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=C(C=CC(=C1)Br)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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