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

Systemtic Name: 7-[3-(4-cyclohexylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(4-cyclohexylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-(4-cyclohexylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(4-cyclohexylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-(4-cyclohexylsulfonylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C23H40O5S MolecularWeight: 428.6257

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)CCCCC2C3CCC(C2CCCCCCC(=O)O)O3

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)CCCCC2C3CCC(C2CCCCCCC(=O)O)O3

InChI

InChI=1S/C23H40O5S/c24-23(25)14-7-2-1-6-12-19-20(22-16-15-21(19)28-22)13-8-9-17-29(26,27)18-10-4-3-5-11-18/h18-22H,1-17H2,(H,24,25)