3-[9-(phenylsulfonyloxy)dodecylsulfanyl]propanoic acid

Systemtic Name: 3-[9-(phenylsulfonyloxy)dodecylsulfanyl]propanoic acid Openeye Name: 3-[9-(benzenesulfonyloxy)dodecylsulfanyl]propanoic acid CAS Name: 3-[9-(benzenesulfonyloxy)dodecylthio]propanoic acid IUPAC Name: 3-[9-(benzenesulfonyloxy)dodecylsulfanyl]propanoic acid Traditional Name: 3-(9-besyloxydodecylthio)propionic acid Formula: C21H34O5S2 MolecularWeight: 430.62166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCSCCC(=O)O)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC(CCCCCCCCSCCC(=O)O)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H34O5S2/c1-2-12-19(26-28(24,25)20-14-9-7-10-15-20)13-8-5-3-4-6-11-17-27-18-16-21(22)23/h7,9-10,14-15,19H,2-6,8,11-13,16-18H2,1H3,(H,22,23)