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

Systemtic Name: (E)-7-(3-butylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-butylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(butylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-butylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(butylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C17H28O3S MolecularWeight: 312.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3S/c1-2-3-12-21-17-13(14-10-11-15(17)20-14)8-6-4-5-7-9-16(18)19/h4,6,13-15,17H,2-3,5,7-12H2,1H3,(H,18,19)/b6-4+