2-[2-[1-(oxan-2-yloxy)ethyl]phenoxy]butyl 3-oxidanylidenepentanoate

Systemtic Name: 2-[2-[1-(oxan-2-yloxy)ethyl]phenoxy]butyl 3-oxidanylidenepentanoate Openeye Name: 2-[2-(1-tetrahydropyran-2-yloxyethyl)phenoxy]butyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 2-[2-[1-(2-oxanyloxy)ethyl]phenoxy]butyl ester IUPAC Name: 2-[2-[1-(oxan-2-yloxy)ethyl]phenoxy]butyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 2-[2-(1-tetrahydropyran-2-yloxyethyl)phenoxy]butyl ester Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CC(=O)CC)OC1=CC=CC=C1C(C)OC2CCCCO2

Isomeric SMILES

CCC(COC(=O)CC(=O)CC)OC1=CC=CC=C1C(C)OC2CCCCO2

InChI

InChI=1S/C22H32O6/c1-4-17(23)14-21(24)26-15-18(5-2)28-20-11-7-6-10-19(20)16(3)27-22-12-8-9-13-25-22/h6-7,10-11,16,18,22H,4-5,8-9,12-15H2,1-3H3