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

Systemtic Name: 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylethyl 3-oxidanylidenepentanoate Openeye Name: 2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanylethyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]ethyl ester IUPAC Name: 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylethyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 2-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]ethyl ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

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