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

Systemtic Name: 3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid CAS Name: 3-[2-(butylthio)ethoxy-oxomethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid IUPAC Name: 3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-[2-(butylthio)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Formula: C14H22O5S MolecularWeight: 302.38648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

Isomeric SMILES

CCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

InChI

InChI=1S/C14H22O5S/c1-2-3-7-20-8-6-18-14(17)12-10-5-4-9(19-10)11(12)13(15)16/h9-12H,2-8H2,1H3,(H,15,16)