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

Systemtic Name: 3-phenylpropyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C26H25BrO5/c1-18-15-22(27)16-19(2)25(18)31-17-24(28)32-23-12-10-21(11-13-23)26(29)30-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3