1-(5-hexyl-2-oxidanyl-4-propoxy-phenyl)heptan-1-one

Systemtic Name: 1-(5-hexyl-2-oxidanyl-4-propoxy-phenyl)heptan-1-one Openeye Name: 1-(5-hexyl-2-hydroxy-4-propoxy-phenyl)heptan-1-one CAS Name: 1-(5-hexyl-2-hydroxy-4-propoxyphenyl)-1-heptanone IUPAC Name: 1-(5-hexyl-2-hydroxy-4-propoxyphenyl)heptan-1-one Traditional Name: 1-(5-hexyl-2-hydroxy-4-propoxy-phenyl)heptan-1-one Formula: C22H36O3 MolecularWeight: 348.51944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C(=O)CCCCCC)O)OCCC

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C(=O)CCCCCC)O)OCCC

InChI

InChI=1S/C22H36O3/c1-4-7-9-11-13-18-16-19(20(23)14-12-10-8-5-2)21(24)17-22(18)25-15-6-3/h16-17,24H,4-15H2,1-3H3