6-phenoxyhexyl 3-oxidanylidenebutanoate

Systemtic Name: 6-phenoxyhexyl 3-oxidanylidenebutanoate Openeye Name: 6-phenoxyhexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 6-phenoxyhexyl ester IUPAC Name: 6-phenoxyhexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 6-phenoxyhexyl ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)OCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C16H22O4/c1-14(17)13-16(18)20-12-8-3-2-7-11-19-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-13H2,1H3