7-[3-(2-hexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(2-hexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-hexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[2-(hexylthio)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-hexylsulfanylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[2-(hexylthio)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H38O3S MolecularWeight: 370.58962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCC1C2CCC(C1CCCCCCC(=O)O)O2

Isomeric SMILES

CCCCCCSCCC1C2CCC(C1CCCCCCC(=O)O)O2

InChI

InChI=1S/C21H38O3S/c1-2-3-4-9-15-25-16-14-18-17(19-12-13-20(18)24-19)10-7-5-6-8-11-21(22)23/h17-20H,2-16H2,1H3,(H,22,23)