2-phenoxyethyl 4-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyloxy]benzoate

Systemtic Name: 2-phenoxyethyl 4-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyloxy]benzoate Openeye Name: 2-phenoxyethyl 4-[2-(2-bromo-4-ethyl-phenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(2-bromo-4-ethylphenoxy)-1-oxoethoxy]benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-[2-(2-bromo-4-ethylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(2-bromo-4-ethyl-phenoxy)acetyl]oxybenzoic acid 2-phenoxyethyl ester Formula: C25H23BrO6 MolecularWeight: 499.35052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C25H23BrO6/c1-2-18-8-13-23(22(26)16-18)31-17-24(27)32-21-11-9-19(10-12-21)25(28)30-15-14-29-20-6-4-3-5-7-20/h3-13,16H,2,14-15,17H2,1H3