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

Systemtic Name: (E)-7-(3-nonylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-nonylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(nonylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-nonylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(nonylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C22H38O3S MolecularWeight: 382.60032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1C2CCC(C1CC=CCCCC(=O)O)O2

Isomeric SMILES

CCCCCCCCCSC1C2CCC(C1C/C=C/CCCC(=O)O)O2

InChI

InChI=1S/C22H38O3S/c1-2-3-4-5-6-9-12-17-26-22-18(19-15-16-20(22)25-19)13-10-7-8-11-14-21(23)24/h7,10,18-20,22H,2-6,8-9,11-17H2,1H3,(H,23,24)/b10-7+