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

Systemtic Name: 7-[3-(2-hydroxyethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-hydroxyethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[(2-hydroxyethylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-hydroxyethylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[(2-hydroxyethylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C16H28O4S MolecularWeight: 316.45612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCCCCC(=O)O)CSCCO

Isomeric SMILES

C1CC2C(C(C1O2)CCCCCCC(=O)O)CSCCO

InChI

InChI=1S/C16H28O4S/c17-9-10-21-11-13-12(14-7-8-15(13)20-14)5-3-1-2-4-6-16(18)19/h12-15,17H,1-11H2,(H,18,19)