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

Systemtic Name: (2-dodecoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-dodecoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-dodecoxyphenyl) ester IUPAC Name: (2-dodecoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-lauryloxyphenyl) ester Formula: C51H78O4 MolecularWeight: 755.16262

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=C3OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCCCCCC

InChI

InChI=1S/C51H78O4/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-30-42-53-44(3)45-34-36-46(37-35-45)47-38-40-48(41-39-47)51(52)55-50-33-29-28-32-49(50)54-43-31-27-25-22-15-13-11-9-7-5-2/h28-29,32-41,44H,4-27,30-31,42-43H2,1-3H3