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

Systemtic Name: (2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-docosanoic acid Openeye Name: (2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-docosanoic acid CAS Name: (2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxodocosanoic acid IUPAC Name: (2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxodocosanoic acid Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-eicosanoyl-acrylic acid Formula: C37H62O4 MolecularWeight: 570.88578

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)O

Isomeric SMILES

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

InChI

InChI=1S/C37H62O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-33(38)30(35(40)41)26-29-27-31(36(2,3)4)34(39)32(28-29)37(5,6)7/h26-28,39H,8-25H2,1-7H3,(H,40,41)/b30-26+