methyl 3-[8-(phenylsulfonyloxy)dodecylsulfanyl]propanoate

Systemtic Name: methyl 3-[8-(phenylsulfonyloxy)dodecylsulfanyl]propanoate Openeye Name: methyl 3-[8-(benzenesulfonyloxy)dodecylsulfanyl]propanoate CAS Name: 3-[8-(benzenesulfonyloxy)dodecylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[8-(benzenesulfonyloxy)dodecylsulfanyl]propanoate Traditional Name: 3-(8-besyloxydodecylthio)propionic acid methyl ester Formula: C22H36O5S2 MolecularWeight: 444.64824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCSCCC(=O)OC)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC(CCCCCCCSCCC(=O)OC)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H36O5S2/c1-3-4-13-20(27-29(24,25)21-15-10-8-11-16-21)14-9-6-5-7-12-18-28-19-17-22(23)26-2/h8,10-11,15-16,20H,3-7,9,12-14,17-19H2,1-2H3