(phenylmethyl) 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: (phenylmethyl) 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: benzyl 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid benzyl ester Formula: C17H17BrO5 MolecularWeight: 381.21788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OCC2=CC=CC=C2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OCC2=CC=CC=C2)Br)OC)OC

InChI

InChI=1S/C17H17BrO5/c1-20-13-9-12(14(18)16(22-3)15(13)21-2)17(19)23-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3