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

Systemtic Name: 3-(2-octylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-(2-octylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid CAS Name: 3-[2-(octylthio)ethoxy-oxomethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid IUPAC Name: 3-(2-octylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-[2-(octylthio)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Formula: C18H30O5S MolecularWeight: 358.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

Isomeric SMILES

CCCCCCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

InChI

InChI=1S/C18H30O5S/c1-2-3-4-5-6-7-11-24-12-10-22-18(21)16-14-9-8-13(23-14)15(16)17(19)20/h13-16H,2-12H2,1H3,(H,19,20)