[(3R,4S,5S)-3,4,5,6-tetraacetyloxy-6-phenylsulfanyl-hexyl] ethanoate

Systemtic Name: [(3R,4S,5S)-3,4,5,6-tetraacetyloxy-6-phenylsulfanyl-hexyl] ethanoate Openeye Name: [(3R,4S,5S)-3,4,5,6-tetraacetoxy-6-phenylsulfanyl-hexyl] acetate CAS Name: acetic acid [(3R,4S,5S)-3,4,5,6-tetraacetyloxy-6-(phenylthio)hexyl] ester IUPAC Name: [(3R,4S,5S)-3,4,5,6-tetraacetyloxy-6-phenylsulfanylhexyl] acetate Traditional Name: acetic acid [(3R,4S,5S)-3,4,5,6-tetraacetoxy-6-(phenylthio)hexyl] ester Formula: C22H28O10S MolecularWeight: 484.51672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(C(C(C(OC(=O)C)SC1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC[C@H]([C@@H]([C@@H](C(OC(=O)C)SC1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H28O10S/c1-13(23)28-12-11-19(29-14(2)24)20(30-15(3)25)21(31-16(4)26)22(32-17(5)27)33-18-9-7-6-8-10-18/h6-10,19-22H,11-12H2,1-5H3/t19-,20+,21+,22?/m1/s1