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

Systemtic Name: 3-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenepentanoate Openeye Name: 3-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylpropyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 3-[[4-[2-(2-oxanyloxy)ethyl]phenyl]thio]propyl ester IUPAC Name: 3-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 3-[[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]propyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-2-18(22)16-20(23)24-13-5-15-27-19-9-7-17(8-10-19)11-14-26-21-6-3-4-12-25-21/h7-10,21H,2-6,11-16H2,1H3