[4-(1-hexadecoxyethyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(1-hexadecoxyethyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-hexadecoxyethyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-hexadecoxyethyl)phenyl] ester IUPAC Name: [4-(1-hexadecoxyethyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-cetyloxyethyl)phenyl] ester Formula: C45H66O4 MolecularWeight: 671.00314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C45H66O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-22-36-47-38(3)39-28-34-44(35-29-39)49-45(46)42-26-24-40(25-27-42)41-30-32-43(33-31-41)48-37-23-20-11-9-7-5-2/h24-35,38H,4-23,36-37H2,1-3H3