phenethyl 3-(4-hexoxyphenyl)carbonyloxybenzoate

Systemtic Name: phenethyl 3-(4-hexoxyphenyl)carbonyloxybenzoate Openeye Name: phenethyl 3-(4-hexoxybenzoyl)oxybenzoate CAS Name: 3-[(4-hexoxyphenyl)-oxomethoxy]benzoic acid phenethyl ester IUPAC Name: phenethyl 3-(4-hexoxybenzoyl)oxybenzoate Traditional Name: 3-(4-hexoxybenzoyl)oxybenzoic acid phenethyl ester Formula: C28H30O5 MolecularWeight: 446.5348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-2-3-4-8-19-31-25-16-14-23(15-17-25)28(30)33-26-13-9-12-24(21-26)27(29)32-20-18-22-10-6-5-7-11-22/h5-7,9-17,21H,2-4,8,18-20H2,1H3