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

Systemtic Name: 7-[3-(2-cyclohexylsulfonylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-cyclohexylsulfonylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-(2-cyclohexylsulfonylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-cyclohexylsulfonylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(2-cyclohexylsulfonylethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H36O5S MolecularWeight: 400.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)CCC2C3CCC(C2CCCCCCC(=O)O)O3

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)CCC2C3CCC(C2CCCCCCC(=O)O)O3

InChI

InChI=1S/C21H36O5S/c22-21(23)11-7-2-1-6-10-17-18(20-13-12-19(17)26-20)14-15-27(24,25)16-8-4-3-5-9-16/h16-20H,1-15H2,(H,22,23)