4-[1-(2-methanoyl-7-oxabicyclo[2.2.1]heptan-3-yl)ethylsulfanyl]butanoic acid

Systemtic Name: 4-[1-(2-methanoyl-7-oxabicyclo[2.2.1]heptan-3-yl)ethylsulfanyl]butanoic acid Openeye Name: 4-[1-(2-formyl-7-oxabicyclo[2.2.1]heptan-3-yl)ethylsulfanyl]butanoic acid CAS Name: 4-[1-(2-formyl-7-oxabicyclo[2.2.1]heptan-3-yl)ethylthio]butanoic acid IUPAC Name: 4-[1-(2-formyl-7-oxabicyclo[2.2.1]heptan-3-yl)ethylsulfanyl]butanoic acid Traditional Name: 4-[1-(2-formyl-7-oxabicyclo[2.2.1]heptan-3-yl)ethylthio]butyric acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CCC(C1C=O)O2)SCCCC(=O)O

Isomeric SMILES

CC(C1C2CCC(C1C=O)O2)SCCCC(=O)O

InChI

InChI=1S/C13H20O4S/c1-8(18-6-2-3-12(15)16)13-9(7-14)10-4-5-11(13)17-10/h7-11,13H,2-6H2,1H3,(H,15,16)