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

Systemtic Name: 4-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(2-bromo-4,6-dimethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(2-bromo-4,6-dimethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(2-bromo-4,6-dimethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(2-bromo-4,6-dimethyl-phenoxy)methyl]benzoic acid Formula: C16H15BrO3 MolecularWeight: 335.1925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)O)C

InChI

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