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

Systemtic Name: (E)-7-(3-hex-5-ynylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-hex-5-ynylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(hex-5-ynylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-hex-5-ynylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(hex-5-ynylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C19H28O3S MolecularWeight: 336.48882

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCSC1C2CCC(C1CC=CCCCC(=O)O)O2

Isomeric SMILES

C#CCCCCSC1C2CCC(C1C/C=C/CCCC(=O)O)O2

InChI

InChI=1S/C19H28O3S/c1-2-3-4-9-14-23-19-15(16-12-13-17(19)22-16)10-7-5-6-8-11-18(20)21/h1,5,7,15-17,19H,3-4,6,8-14H2,(H,20,21)/b7-5+