(4-tert-butylphenyl)methyl icosanoate

Systemtic Name: (4-tert-butylphenyl)methyl icosanoate Openeye Name: (4-tert-butylphenyl)methyl icosanoate CAS Name: eicosanoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl icosanoate Traditional Name: arachidic acid (4-tert-butylbenzyl) ester Formula: C31H54O2 MolecularWeight: 458.75926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C31H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(32)33-27-28-23-25-29(26-24-28)31(2,3)4/h23-26H,5-22,27H2,1-4H3