(E)-7-[4-[2-(phenylmethylsulfanyl)ethyl]thiolan-3-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[4-[2-(phenylmethylsulfanyl)ethyl]thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-(2-benzylsulfanylethyl)tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-[2-(phenylmethylthio)ethyl]-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-(2-benzylsulfanylethyl)thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-[2-(benzylthio)ethyl]tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C20H28O2S2 MolecularWeight: 364.56512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C(C(CS1)C/C=C/CCCC(=O)O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C20H28O2S2/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/h1,3-6,8-9,18-19H,2,7,10-16H2,(H,21,22)/b6-1+