(E)-7-(3-ethanoylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid

Systemtic Name: (E)-7-(3-ethanoylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-acetylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(acetylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-acetylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(acetylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C2CCC(C1CC=CCCCC(=O)O)O2

Isomeric SMILES

CC(=O)SC1C2CCC(C1C/C=C/CCCC(=O)O)O2

InChI

InChI=1S/C15H22O4S/c1-10(16)20-15-11(12-8-9-13(15)19-12)6-4-2-3-5-7-14(17)18/h2,4,11-13,15H,3,5-9H2,1H3,(H,17,18)/b4-2+