3-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylpropyl 3-oxidanylidenebutanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

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