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

Systemtic Name: 4-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]benzoate Openeye Name: 4-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]benzoate CAS Name: 4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzoate IUPAC Name: 4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzoate Traditional Name: 4-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]benzoate Formula: C17H16BrO3- MolecularWeight: 348.21114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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