3-phenylpropyl 4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-bromo-2-tert-butylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C28H29BrO5 MolecularWeight: 525.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H29BrO5/c1-28(2,3)24-18-22(29)13-16-25(24)33-19-26(30)34-23-14-11-21(12-15-23)27(31)32-17-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-16,18H,7,10,17,19H2,1-3H3