phenethyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyloxy]benzoate

Systemtic Name: phenethyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyloxy]benzoate Openeye Name: phenethyl 3-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]oxybenzoate CAS Name: 3-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethoxy]benzoic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]oxybenzoate Traditional Name: 3-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]oxybenzoic acid phenethyl ester Formula: C25H23BrO5 MolecularWeight: 483.35112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C25H23BrO5/c1-17-13-21(26)14-18(2)24(17)30-16-23(27)31-22-10-6-9-20(15-22)25(28)29-12-11-19-7-4-3-5-8-19/h3-10,13-15H,11-12,16H2,1-2H3