3-[(4-bromanyl-2-propan-2-yl-phenoxy)methyl]benzoate

Systemtic Name: 3-[(4-bromanyl-2-propan-2-yl-phenoxy)methyl]benzoate Openeye Name: 3-[(4-bromo-2-isopropyl-phenoxy)methyl]benzoate CAS Name: 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]benzoate IUPAC Name: 3-[(4-bromo-2-propan-2-ylphenoxy)methyl]benzoate Traditional Name: 3-[(4-bromo-2-isopropyl-phenoxy)methyl]benzoate Formula: C17H16BrO3- MolecularWeight: 348.21114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C17H17BrO3/c1-11(2)15-9-14(18)6-7-16(15)21-10-12-4-3-5-13(8-12)17(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)/p-1