2-[2-[1-(oxan-3-yl)ethyl]hexylsulfanyl]-2-oxidanyl-ethanoate

Systemtic Name: 2-[2-[1-(oxan-3-yl)ethyl]hexylsulfanyl]-2-oxidanyl-ethanoate Openeye Name: 2-hydroxy-2-[2-(1-tetrahydropyran-3-ylethyl)hexylsulfanyl]acetate CAS Name: 2-hydroxy-2-[2-[1-(3-oxanyl)ethyl]hexylthio]acetate IUPAC Name: 2-hydroxy-2-[2-[1-(oxan-3-yl)ethyl]hexylsulfanyl]acetate Traditional Name: 2-hydroxy-2-[2-(1-tetrahydropyran-3-ylethyl)hexylthio]acetate Formula: C15H27O4S- MolecularWeight: 303.43748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CSC(C(=O)[O-])O)C(C)C1CCCOC1

Isomeric SMILES

CCCCC(CSC(C(=O)[O-])O)C(C)C1CCCOC1

InChI

InChI=1S/C15H28O4S/c1-3-4-6-13(10-20-15(18)14(16)17)11(2)12-7-5-8-19-9-12/h11-13,15,18H,3-10H2,1-2H3,(H,16,17)/p-1