3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxidanylidenepentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

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