3-(2-propan-2-ylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Systemtic Name: 3-(2-propan-2-ylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-(2-isopropylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid CAS Name: 3-[oxo-[2-(propan-2-ylthio)ethoxy]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid IUPAC Name: 3-(2-propan-2-ylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-[2-(isopropylthio)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Formula: C13H20O5S MolecularWeight: 288.3599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCOC(=O)C1C2CCC(C1C(=O)O)O2

Isomeric SMILES

CC(C)SCCOC(=O)C1C2CCC(C1C(=O)O)O2

InChI

InChI=1S/C13H20O5S/c1-7(2)19-6-5-17-13(16)11-9-4-3-8(18-9)10(11)12(14)15/h7-11H,3-6H2,1-2H3,(H,14,15)