(E)-7-(3-pent-4-enylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid

Systemtic Name: (E)-7-(3-pent-4-enylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-pent-4-enylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(pent-4-enylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-pent-4-enylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(pent-4-enylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCSC1C2CCC(C1CC=CCCCC(=O)O)O2

Isomeric SMILES

C=CCCCSC1C2CCC(C1C/C=C/CCCC(=O)O)O2

InChI

InChI=1S/C18H28O3S/c1-2-3-8-13-22-18-14(15-11-12-16(18)21-15)9-6-4-5-7-10-17(19)20/h2,4,6,14-16,18H,1,3,5,7-13H2,(H,19,20)/b6-4+