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

Systemtic Name: phenethyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyloxy]benzoate Openeye Name: phenethyl 4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyloxy]benzoate CAS Name: 4-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropoxy]benzoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoyloxy]benzoate Traditional Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyloxy]benzoic acid phenethyl ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C26H25BrO5/c1-17-15-22(27)16-18(2)24(17)31-19(3)25(28)32-23-11-9-21(10-12-23)26(29)30-14-13-20-7-5-4-6-8-20/h4-12,15-16,19H,13-14H2,1-3H3