[4-(4-pentadecoxyphenyl)phenyl] 4-(1-icosoxyethyl)benzoate

Systemtic Name: [4-(4-pentadecoxyphenyl)phenyl] 4-(1-icosoxyethyl)benzoate Openeye Name: [4-(4-pentadecoxyphenyl)phenyl] 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid [4-(4-pentadecoxyphenyl)phenyl] ester IUPAC Name: [4-(4-pentadecoxyphenyl)phenyl] 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid [4-(4-pentadecoxyphenyl)phenyl] ester Formula: C56H88O4 MolecularWeight: 825.29552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H88O4/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-33-47-58-49(3)50-35-37-53(38-36-50)56(57)60-55-45-41-52(42-46-55)51-39-43-54(44-40-51)59-48-34-32-30-28-26-23-17-15-13-11-9-7-5-2/h35-46,49H,4-34,47-48H2,1-3H3