2-[3-[4-(oxan-2-yloxy)butyl]phenoxy]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[3-[4-(oxan-2-yloxy)butyl]phenoxy]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[3-(4-tetrahydropyran-2-yloxybutyl)phenoxy]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[3-[4-(2-oxanyloxy)butyl]phenoxy]ethyl ester IUPAC Name: 2-[3-[4-(oxan-2-yloxy)butyl]phenoxy]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[3-(4-tetrahydropyran-2-yloxybutyl)phenoxy]ethyl ester Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCOC1=CC=CC(=C1)CCCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCOC1=CC=CC(=C1)CCCCOC2CCCCO2

InChI

InChI=1S/C21H30O6/c1-17(22)15-20(23)25-14-13-24-19-9-6-8-18(16-19)7-2-4-11-26-21-10-3-5-12-27-21/h6,8-9,16,21H,2-5,7,10-15H2,1H3