4-[(2-bromanyl-6-phenethyl-phenoxy)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(2-bromanyl-6-phenethyl-phenoxy)methyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[(2-bromo-6-phenethyl-phenoxy)methyl]-2-hydroxy-benzoic acid CAS Name: 4-[(2-bromo-6-phenethylphenoxy)methyl]-2-hydroxybenzoic acid IUPAC Name: 4-[(2-bromo-6-phenethylphenoxy)methyl]-2-hydroxybenzoic acid Traditional Name: 4-[(2-bromo-6-phenethyl-phenoxy)methyl]-2-hydroxy-benzoic acid Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)Br)OCC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)Br)OCC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H19BrO4/c23-19-8-4-7-17(11-9-15-5-2-1-3-6-15)21(19)27-14-16-10-12-18(22(25)26)20(24)13-16/h1-8,10,12-13,24H,9,11,14H2,(H,25,26)