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

Systemtic Name: 3-phenylpropyl 4-[2-(4-tert-butylphenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(4-tert-butylphenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(4-tert-butylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-tert-butylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(4-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=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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