3-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]benzoic acid Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCC2=CC=CC(=C2)C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1OCC2=CC=CC(=C2)C(=O)O)C)C)Br

InChI

InChI=1S/C17H17BrO3/c1-10-7-15(18)11(2)12(3)16(10)21-9-13-5-4-6-14(8-13)17(19)20/h4-8H,9H2,1-3H3,(H,19,20)