[3-[[3-[(E)-6-ethyl-6-oxidanyl-oct-2-en-4-yn-2-yl]phenoxy]methyl]phenyl]methanediol

Systemtic Name: [3-[[3-[(E)-6-ethyl-6-oxidanyl-oct-2-en-4-yn-2-yl]phenoxy]methyl]phenyl]methanediol Openeye Name: [3-[[3-[(E)-5-ethyl-5-hydroxy-1-methyl-hept-1-en-3-ynyl]phenoxy]methyl]phenyl]methanediol CAS Name: [3-[[3-[(E)-6-ethyl-6-hydroxyoct-2-en-4-yn-2-yl]phenoxy]methyl]phenyl]methanediol IUPAC Name: [3-[[3-[(E)-6-ethyl-6-hydroxyoct-2-en-4-yn-2-yl]phenoxy]methyl]phenyl]methanediol Traditional Name: [3-[[3-[(E)-5-ethyl-5-hydroxy-1-methyl-hept-1-en-3-ynyl]phenoxy]methyl]phenyl]methanediol Formula: C24H28O4 MolecularWeight: 380.47672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC=C(C)C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)O

Isomeric SMILES

CCC(CC)(C#C/C=C(\C)/C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)O

InChI

InChI=1S/C24H28O4/c1-4-24(27,5-2)14-8-9-18(3)20-11-7-13-22(16-20)28-17-19-10-6-12-21(15-19)23(25)26/h6-7,9-13,15-16,23,25-27H,4-5,17H2,1-3H3/b18-9+