2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxidanylidenepentanoate

Systemtic Name: 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxidanylidenepentanoate Openeye Name: 2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylethyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]ethyl ester IUPAC Name: 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-2-18(22)16-20(23)24-14-15-27-19-10-8-17(9-11-19)6-5-13-26-21-7-3-4-12-25-21/h8-11,21H,2-7,12-16H2,1H3