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

Systemtic Name: (2-pentadecoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester IUPAC Name: (2-pentadecoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) 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)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H88O4/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-35-47-58-49(3)50-39-41-51(42-40-50)52-43-45-53(46-44-52)56(57)60-55-38-34-33-37-54(55)59-48-36-32-30-28-26-23-17-15-13-11-9-7-5-2/h33-34,37-46,49H,4-32,35-36,47-48H2,1-3H3