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

Systemtic Name: 7-[3-(2-phenylsulfanylethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(2-phenylsulfanylethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[2-(phenylthio)ethyl]-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(2-phenylsulfanylethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[2-(phenylthio)ethyl]-7-thiabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C21H30O2S2 MolecularWeight: 378.5917

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1S2)CCCCCCC(=O)O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1S2)CCCCCCC(=O)O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H30O2S2/c22-21(23)11-7-2-1-6-10-17-18(20-13-12-19(17)25-20)14-15-24-16-8-4-3-5-9-16/h3-5,8-9,17-20H,1-2,6-7,10-15H2,(H,22,23)