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

Systemtic Name: 4-[(4-bromanyl-2,6-dimethyl-phenoxy)methyl]benzoate Openeye Name: 4-[(4-bromo-2,6-dimethyl-phenoxy)methyl]benzoate CAS Name: 4-[(4-bromo-2,6-dimethylphenoxy)methyl]benzoate IUPAC Name: 4-[(4-bromo-2,6-dimethylphenoxy)methyl]benzoate Traditional Name: 4-[(4-bromo-2,6-dimethyl-phenoxy)methyl]benzoate Formula: C16H14BrO3- MolecularWeight: 334.18456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)[O-])C)Br

InChI

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