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

Systemtic Name: (E)-7-[4-(2-phenylsulfanylethyl)thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-(2-phenylsulfanylethyl)tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-[2-(phenylthio)ethyl]-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-(2-phenylsulfanylethyl)thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-[2-(phenylthio)ethyl]tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C19H26O2S2 MolecularWeight: 350.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)CC=CCCCC(=O)O)CCSC2=CC=CC=C2

Isomeric SMILES

C1C(C(CS1)C/C=C/CCCC(=O)O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H26O2S2/c20-19(21)11-7-2-1-4-8-16-14-22-15-17(16)12-13-23-18-9-5-3-6-10-18/h1,3-6,9-10,16-17H,2,7-8,11-15H2,(H,20,21)/b4-1+