[(3aR,5S,6S,6aR)-5-[(1S)-2-ethanoylsulfanyl-1-sulfooxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ethanoate

Systemtic Name: [(3aR,5S,6S,6aR)-5-[(1S)-2-ethanoylsulfanyl-1-sulfooxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ethanoate Openeye Name: [(3aR,5S,6S,6aR)-5-[(1S)-2-acetylsulfanyl-1-sulfooxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate CAS Name: acetic acid [(3aR,5S,6S,6aR)-5-[(1S)-2-(acetylthio)-1-sulfooxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5S,6S,6aR)-5-[(1S)-2-acetylsulfanyl-1-sulfooxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate Traditional Name: acetic acid [(3aR,5S,6S,6aR)-5-[(1S)-2-(acetylthio)-1-sulfoxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C13H20O10S2 MolecularWeight: 400.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(OC1C(CSC(=O)C)OS(=O)(=O)O)OC(O2)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CSC(=O)C)OS(=O)(=O)O)OC(O2)(C)C

InChI

InChI=1S/C13H20O10S2/c1-6(14)19-10-9(20-12-11(10)21-13(3,4)22-12)8(5-24-7(2)15)23-25(16,17)18/h8-12H,5H2,1-4H3,(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1