3-phenylpropyl 4-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 4-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(2-bromo-4-chloro-phenoxy)propanoyloxy]benzoate CAS Name: 4-[2-(2-bromo-4-chlorophenoxy)-1-oxopropoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(2-bromo-4-chlorophenoxy)propanoyloxy]benzoate Traditional Name: 4-[2-(2-bromo-4-chloro-phenoxy)propanoyloxy]benzoic acid 3-phenylpropyl ester Formula: C25H22BrClO5 MolecularWeight: 517.79618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)C(=O)OCCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)C(=O)OCCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C25H22BrClO5/c1-17(31-23-14-11-20(27)16-22(23)26)24(28)32-21-12-9-19(10-13-21)25(29)30-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16-17H,5,8,15H2,1H3