ethyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-docosanoate

Systemtic Name: ethyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-docosanoate Openeye Name: ethyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-oxo-docosanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxodocosanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxodocosanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-keto-behenic acid ethyl ester Formula: C39H68O4 MolecularWeight: 600.95482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C39H68O4/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-35(40)32(37(42)43-10-2)28-31-29-33(38(3,4)5)36(41)34(30-31)39(6,7)8/h29-30,32,41H,9-28H2,1-8H3