7-[3-(4-pentylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid

Systemtic Name: 7-[3-(4-pentylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(4-pentylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-(4-pentylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(4-pentylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(4-amylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C22H40O5S MolecularWeight: 416.615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)CCCCC1C2CCC(C1CCCCCCC(=O)O)O2

Isomeric SMILES

CCCCCS(=O)(=O)CCCCC1C2CCC(C1CCCCCCC(=O)O)O2

InChI

InChI=1S/C22H40O5S/c1-2-3-9-16-28(25,26)17-10-8-12-19-18(20-14-15-21(19)27-20)11-6-4-5-7-13-22(23)24/h18-21H,2-17H2,1H3,(H,23,24)