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

Systemtic Name: (2-octoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-octoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-octoxyphenyl) ester IUPAC Name: (2-octoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-octoxyphenyl) 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)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCC

InChI

InChI=1S/C45H66O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-24-36-47-38(3)39-28-30-40(31-29-39)41-32-34-42(35-33-41)45(46)49-44-27-23-22-26-43(44)48-37-25-20-11-9-7-5-2/h22-23,26-35,38H,4-21,24-25,36-37H2,1-3H3