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

Systemtic Name: 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxidanylidenehexanoate Openeye Name: 2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylethyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]ethyl ester IUPAC Name: 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]ethyl ester Formula: C22H32O5S MolecularWeight: 408.55148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O5S/c1-2-6-19(23)17-21(24)25-15-16-28-20-11-9-18(10-12-20)7-5-14-27-22-8-3-4-13-26-22/h9-12,22H,2-8,13-17H2,1H3