5-butyl-5-ethyl-4-propyl-4-(trioxidanylsulfanyl)oxan-2-one

Systemtic Name: 5-butyl-5-ethyl-4-propyl-4-(trioxidanylsulfanyl)oxan-2-one Openeye Name: 5-butyl-5-ethyl-4-propyl-4-(trioxidanylsulfanyl)tetrahydropyran-2-one CAS Name: 5-butyl-5-ethyl-2-oxo-4-propyl-4-oxanesulfenic acid hydroperoxy ester IUPAC Name: 5-butyl-5-ethyl-4-propyl-4-(trioxidanylsulfanyl)oxan-2-one Traditional Name: 5-butyl-5-ethyl-4-propyl-4-(trioxidanylthio)tetrahydropyran-2-one Formula: C14H26O5S MolecularWeight: 306.41824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(COC(=O)CC1(CCC)SOOO)CC

Isomeric SMILES

CCCCC1(COC(=O)CC1(CCC)SOOO)CC

InChI

InChI=1S/C14H26O5S/c1-4-7-9-13(6-3)11-17-12(15)10-14(13,8-5-2)20-19-18-16/h16H,4-11H2,1-3H3