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

Systemtic Name: (E)-7-(3-hept-3-ynylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-hept-3-ynylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(hept-3-ynylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-hept-3-ynylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(hept-3-ynylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1C2CCC(C1CC=CCCCC(=O)O)O2

Isomeric SMILES

CCCC#CCCSC1C2CCC(C1C/C=C/CCCC(=O)O)O2

InChI

InChI=1S/C20H30O3S/c1-2-3-4-7-10-15-24-20-16(17-13-14-18(20)23-17)11-8-5-6-9-12-19(21)22/h5,8,16-18,20H,2-3,6,9-15H2,1H3,(H,21,22)/b8-5+