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

Systemtic Name: 7-[3-(phenylsulfanylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Openeye Name: 7-[3-(phenylsulfanylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid CAS Name: 7-[3-[(phenylthio)methyl]-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid IUPAC Name: 7-[3-(phenylsulfanylmethyl)-7-thiabicyclo[2.2.1]heptan-2-yl]heptanoic acid Traditional Name: 7-[3-[(phenylthio)methyl]-7-thiabicyclo[2.2.1]heptan-2-yl]enanthic acid Formula: C20H28O2S2 MolecularWeight: 364.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1S2)CCCCCCC(=O)O)CSC3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1S2)CCCCCCC(=O)O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H28O2S2/c21-20(22)11-7-2-1-6-10-16-17(19-13-12-18(16)24-19)14-23-15-8-4-3-5-9-15/h3-5,8-9,16-19H,1-2,6-7,10-14H2,(H,21,22)