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

Systemtic Name: ethyl (2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-docosanoate Openeye Name: ethyl (2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-docosanoate CAS Name: (2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxodocosanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxodocosanoate Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-eicosanoyl-acrylic acid ethyl ester Formula: C39H66O4 MolecularWeight: 598.93894

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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(=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)OCC

InChI

InChI=1S/C39H66O4/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/h28-30,41H,9-27H2,1-8H3/b32-28+