3-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]benzoic acid Traditional Name: 3-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]benzoic acid Formula: C20H23BrO3 MolecularWeight: 391.29882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCC2=CC=CC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCC2=CC=CC(=C2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C20H23BrO3/c1-5-13-10-16(20(2,3)4)18(17(21)11-13)24-12-14-7-6-8-15(9-14)19(22)23/h6-11H,5,12H2,1-4H3,(H,22,23)