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

Systemtic Name: (E)-7-(3-cyclohexylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Openeye Name: (E)-7-(3-cyclohexylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid CAS Name: (E)-7-[3-(cyclohexylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-(3-cyclohexylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-yl)hept-5-enoic acid Traditional Name: (E)-7-[3-(cyclohexylthio)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C19H30O3S MolecularWeight: 338.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2C3CCC(C2CC=CCCCC(=O)O)O3

Isomeric SMILES

C1CCC(CC1)SC2C3CCC(C2C/C=C/CCCC(=O)O)O3

InChI

InChI=1S/C19H30O3S/c20-18(21)11-7-2-1-6-10-15-16-12-13-17(22-16)19(15)23-14-8-4-3-5-9-14/h1,6,14-17,19H,2-5,7-13H2,(H,20,21)/b6-1+