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

Systemtic Name: 2-[2-[1-(oxan-2-yloxy)ethyl]phenoxy]butyl 3-oxidanylidenebutanoate Openeye Name: 2-[2-(1-tetrahydropyran-2-yloxyethyl)phenoxy]butyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[2-[1-(2-oxanyloxy)ethyl]phenoxy]butyl ester IUPAC Name: 2-[2-[1-(oxan-2-yloxy)ethyl]phenoxy]butyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[2-(1-tetrahydropyran-2-yloxyethyl)phenoxy]butyl ester Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O6/c1-4-17(14-25-20(23)13-15(2)22)27-19-10-6-5-9-18(19)16(3)26-21-11-7-8-12-24-21/h5-6,9-10,16-17,21H,4,7-8,11-14H2,1-3H3