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

Systemtic Name: 3-(2-dodecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-(2-dodecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid CAS Name: 3-[2-(dodecylthio)ethoxy-oxomethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid IUPAC Name: 3-(2-dodecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-[2-(laurylthio)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Formula: C22H38O5S MolecularWeight: 414.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

Isomeric SMILES

CCCCCCCCCCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

InChI

InChI=1S/C22H38O5S/c1-2-3-4-5-6-7-8-9-10-11-15-28-16-14-26-22(25)20-18-13-12-17(27-18)19(20)21(23)24/h17-20H,2-16H2,1H3,(H,23,24)