3-phenylpropyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyloxy]benzoate Openeye Name: 3-phenylpropyl 3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyloxy]benzoate CAS Name: 3-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-[2-(4-bromo-2,6-dimethylphenoxy)propanoyloxy]benzoate Traditional Name: 3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyloxy]benzoic acid 3-phenylpropyl ester Formula: C27H27BrO5 MolecularWeight: 511.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C27H27BrO5/c1-18-15-23(28)16-19(2)25(18)32-20(3)26(29)33-24-13-7-12-22(17-24)27(30)31-14-8-11-21-9-5-4-6-10-21/h4-7,9-10,12-13,15-17,20H,8,11,14H2,1-3H3