4-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylbutyl 3-oxidanylidenehexanoate

Systemtic Name: 4-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylbutyl 3-oxidanylidenehexanoate Openeye Name: 4-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylbutyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 4-[[4-[2-(2-oxanyloxy)ethyl]phenyl]thio]butyl ester IUPAC Name: 4-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylbutyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 4-[[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]butyl ester Formula: C23H34O5S MolecularWeight: 422.57806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C23H34O5S/c1-2-7-20(24)18-22(25)26-14-5-6-17-29-21-11-9-19(10-12-21)13-16-28-23-8-3-4-15-27-23/h9-12,23H,2-8,13-18H2,1H3