[(3S)-3-(methoxymethoxy)-1-nitro-1-phenylsulfanyl-butan-2-yl] methanesulfonate

Systemtic Name: [(3S)-3-(methoxymethoxy)-1-nitro-1-phenylsulfanyl-butan-2-yl] methanesulfonate Openeye Name: [(2S)-2-(methoxymethoxy)-1-[nitro(phenylsulfanyl)methyl]propyl] methanesulfonate CAS Name: methanesulfonic acid [(3S)-3-(methoxymethoxy)-1-nitro-1-(phenylthio)butan-2-yl] ester IUPAC Name: [(3S)-3-(methoxymethoxy)-1-nitro-1-phenylsulfanylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2S)-2-(methoxymethoxy)-1-[nitro-(phenylthio)methyl]propyl] ester Formula: C13H19NO7S2 MolecularWeight: 365.42246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C([N+](=O)[O-])SC1=CC=CC=C1)OS(=O)(=O)C)OCOC

Isomeric SMILES

C[C@@H](C(C([N+](=O)[O-])SC1=CC=CC=C1)OS(=O)(=O)C)OCOC

InChI

InChI=1S/C13H19NO7S2/c1-10(20-9-19-2)12(21-23(3,17)18)13(14(15)16)22-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t10-,12?,13?/m0/s1