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

Systemtic Name: 7-[3-(2-hexylsulfanylethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-hexylsulfanylethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[2-(hexylthio)ethyl]-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-hexylsulfanylethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[2-(hexylthio)ethyl]-7-thiabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H38O2S2 MolecularWeight: 386.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCC1C2CCC(C1CCCCCCC(=O)O)S2

Isomeric SMILES

CCCCCCSCCC1C2CCC(C1CCCCCCC(=O)O)S2

InChI

InChI=1S/C21H38O2S2/c1-2-3-4-9-15-24-16-14-18-17(19-12-13-20(18)25-19)10-7-5-6-8-11-21(22)23/h17-20H,2-16H2,1H3,(H,22,23)