4-[2,5-didodecoxy-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[2,5-didodecoxy-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[2,5-didodecoxy-4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[2,5-didodecoxy-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[2,5-didodecoxy-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-(3-hydroxy-3-methyl-but-1-ynyl)-2,5-dilauryloxy-phenyl]-2-methyl-but-3-yn-2-ol Formula: C40H66O4 MolecularWeight: 610.94964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC(C)(C)O)OCCCCCCCCCCCC)C#CC(C)(C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC(C)(C)O)OCCCCCCCCCCCC)C#CC(C)(C)O

InChI

InChI=1S/C40H66O4/c1-7-9-11-13-15-17-19-21-23-25-31-43-37-33-36(28-30-40(5,6)42)38(34-35(37)27-29-39(3,4)41)44-32-26-24-22-20-18-16-14-12-10-8-2/h33-34,41-42H,7-26,31-32H2,1-6H3