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

Systemtic Name: 2-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxidanylidenepentanoate Openeye Name: 2-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylethyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 2-[[4-[2-(2-oxanyloxy)ethyl]phenyl]thio]ethyl ester IUPAC Name: 2-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 2-[[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]ethyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C20H28O5S/c1-2-17(21)15-19(22)23-13-14-26-18-8-6-16(7-9-18)10-12-25-20-5-3-4-11-24-20/h6-9,20H,2-5,10-15H2,1H3