4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxidanylidenebutanoate

Systemtic Name: 4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxidanylidenebutanoate Openeye Name: 4-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylbutyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 4-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]butyl ester IUPAC Name: 4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 4-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]butyl ester Formula: C22H32O5S MolecularWeight: 408.55148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

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