[(2R,3R)-3-oxidanyl-1-phenylmethoxy-4-phenylsulfanyl-butan-2-yl] hydrogen sulfate

Systemtic Name: [(2R,3R)-3-oxidanyl-1-phenylmethoxy-4-phenylsulfanyl-butan-2-yl] hydrogen sulfate Openeye Name: [(1R,2R)-1-(benzyloxymethyl)-2-hydroxy-3-phenylsulfanyl-propyl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R)-3-hydroxy-1-phenylmethoxy-4-(phenylthio)butan-2-yl] ester IUPAC Name: [(2R,3R)-3-hydroxy-1-phenylmethoxy-4-phenylsulfanylbutan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1R,2R)-1-(benzoxymethyl)-2-hydroxy-3-(phenylthio)propyl] ester Formula: C17H20O6S2 MolecularWeight: 384.4671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(CSC2=CC=CC=C2)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@H]([C@H](CSC2=CC=CC=C2)O)OS(=O)(=O)O

InChI

InChI=1S/C17H20O6S2/c18-16(13-24-15-9-5-2-6-10-15)17(23-25(19,20)21)12-22-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2,(H,19,20,21)/t16-,17+/m0/s1