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

Systemtic Name: (2-octoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-octoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-octoxyphenyl) ester IUPAC Name: (2-octoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-octoxyphenyl) ester Formula: C47H70O4 MolecularWeight: 699.0563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H70O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-26-38-49-40(3)41-30-32-42(33-31-41)43-34-36-44(37-35-43)47(48)51-46-29-25-24-28-45(46)50-39-27-22-11-9-7-5-2/h24-25,28-37,40H,4-23,26-27,38-39H2,1-3H3