3-[4-[2-(oxan-2-yloxy)ethyl]phenoxy]propyl 3-oxidanylidenepentanoate

Systemtic Name: 3-[4-[2-(oxan-2-yloxy)ethyl]phenoxy]propyl 3-oxidanylidenepentanoate Openeye Name: 3-[4-(2-tetrahydropyran-2-yloxyethyl)phenoxy]propyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 3-[4-[2-(2-oxanyloxy)ethyl]phenoxy]propyl ester IUPAC Name: 3-[4-[2-(oxan-2-yloxy)ethyl]phenoxy]propyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 3-[4-(2-tetrahydropyran-2-yloxyethyl)phenoxy]propyl ester Formula: C21H30O6 MolecularWeight: 378.4593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCCOC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCCOC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O6/c1-2-18(22)16-20(23)25-14-5-13-24-19-9-7-17(8-10-19)11-15-27-21-6-3-4-12-26-21/h7-10,21H,2-6,11-16H2,1H3