7-[4-[2-(phenylmethylsulfanyl)ethyl]thiolan-3-yl]heptanoic acid

Systemtic Name: 7-[4-[2-(phenylmethylsulfanyl)ethyl]thiolan-3-yl]heptanoic acid Openeye Name: 7-[4-(2-benzylsulfanylethyl)tetrahydrothiophen-3-yl]heptanoic acid CAS Name: 7-[4-[2-(phenylmethylthio)ethyl]-3-thiolanyl]heptanoic acid IUPAC Name: 7-[4-(2-benzylsulfanylethyl)thiolan-3-yl]heptanoic acid Traditional Name: 7-[4-[2-(benzylthio)ethyl]tetrahydrothiophen-3-yl]enanthic acid Formula: C20H30O2S2 MolecularWeight: 366.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)CCSCC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1C(C(CS1)CCSCC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C20H30O2S2/c21-20(22)11-7-2-1-6-10-18-15-24-16-19(18)12-13-23-14-17-8-4-3-5-9-17/h3-5,8-9,18-19H,1-2,6-7,10-16H2,(H,21,22)