(2-pentan-2-yloxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentan-2-yloxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: [2-(1-methylbutoxy)phenyl] 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-pentan-2-yloxyphenyl) ester IUPAC Name: (2-pentan-2-yloxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid [2-(1-methylbutoxy)phenyl] ester Formula: C46H68O4 MolecularWeight: 685.02972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(C)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(C)CCC

InChI

InChI=1S/C46H68O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-48-39(4)40-29-31-41(32-30-40)42-33-35-43(36-34-42)46(47)50-45-28-24-23-27-44(45)49-38(3)26-6-2/h23-24,27-36,38-39H,5-22,25-26,37H2,1-4H3