3-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]benzoate

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]benzoate Openeye Name: 3-[(4-bromo-3,5-dimethyl-phenoxy)methyl]benzoate CAS Name: 3-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoate IUPAC Name: 3-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoate Traditional Name: 3-[(4-bromo-3,5-dimethyl-phenoxy)methyl]benzoate Formula: C16H14BrO3- MolecularWeight: 334.18456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC2=CC=CC(=C2)C(=O)[O-]

InChI

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