3-phenylpropyl 4-[2-(2-tert-butylphenoxy)ethanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 4-[2-(2-tert-butylphenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(2-tert-butylphenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(2-tert-butylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(2-tert-butylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(2-tert-butylphenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C28H30O5 MolecularWeight: 446.5348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-28(2,3)24-13-7-8-14-25(24)32-20-26(29)33-23-17-15-22(16-18-23)27(30)31-19-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-18H,9,12,19-20H2,1-3H3