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

Systemtic Name: (2-pentadecylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester IUPAC Name: (2-pentadecylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester Formula: C52H80O3 MolecularWeight: 753.1898

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=C3CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCCCCCCCCC

InChI

InChI=1S/C52H80O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-44-54-45(3)46-36-38-47(39-37-46)48-40-42-50(43-41-48)52(53)55-51-35-31-30-34-49(51)33-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-31,34-43,45H,4-29,32-33,44H2,1-3H3