3-[(4-bromanylphenoxy)methyl]-2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)benzoic acid

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)benzoic acid Openeye Name: 3-[(4-bromophenoxy)methyl]-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid CAS Name: 3-[(4-bromophenoxy)methyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid IUPAC Name: 3-[(4-bromophenoxy)methyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid Traditional Name: 3-[(4-bromophenoxy)methyl]-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid Formula: C22H27BrO4 MolecularWeight: 435.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H27BrO4/c1-21(2,3)13-22(4,5)15-10-14(19(24)18(11-15)20(25)26)12-27-17-8-6-16(23)7-9-17/h6-11,24H,12-13H2,1-5H3,(H,25,26)