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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O5S/c1-2-19(23)17-21(24)25-13-5-6-16-28-20-10-8-18(9-11-20)12-15-27-22-7-3-4-14-26-22/h8-11,22H,2-7,12-17H2,1H3