3-[(4-bromanyl-2,5-dimethyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(4-bromanyl-2,5-dimethyl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(4-bromo-2,5-dimethyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(4-bromo-2,5-dimethylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-2,5-dimethylphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-bromo-2,5-dimethyl-phenoxy)methyl]benzoic acid Formula: C16H15BrO3 MolecularWeight: 335.1925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H15BrO3/c1-10-7-15(11(2)6-14(10)17)20-9-12-4-3-5-13(8-12)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)