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

Systemtic Name: ethyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanyl-docosanoate Openeye Name: ethyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-hydroxy-docosanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-hydroxydocosanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-hydroxydocosanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-hydroxy-behenic acid ethyl ester Formula: C39H70O4 MolecularWeight: 602.9707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H70O4/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/h29-30,32,35,40-41H,9-28H2,1-8H3