2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxidanylidenehexanoate

Systemtic Name: 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxidanylidenehexanoate Openeye Name: 2-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylethyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 2-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]ethyl ester IUPAC Name: 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 2-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCSC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCSC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-2-6-18(22)16-20(23)24-13-14-27-19-8-5-7-17(15-19)10-12-26-21-9-3-4-11-25-21/h5,7-8,15,21H,2-4,6,9-14,16H2,1H3