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

Systemtic Name: (E)-7-[4-(phenylsulfanylmethyl)thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-(phenylsulfanylmethyl)tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-[(phenylthio)methyl]-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-(phenylsulfanylmethyl)thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-[(phenylthio)methyl]tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C18H24O2S2 MolecularWeight: 336.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)CSC2=CC=CC=C2)CC=CCCCC(=O)O

Isomeric SMILES

C1C(C(CS1)CSC2=CC=CC=C2)C/C=C/CCCC(=O)O

InChI

InChI=1S/C18H24O2S2/c19-18(20)11-7-2-1-4-8-15-12-21-13-16(15)14-22-17-9-5-3-6-10-17/h1,3-6,9-10,15-16H,2,7-8,11-14H2,(H,19,20)/b4-1+