[(1S)-2-azido-1-di(propan-2-yloxy)phosphoryl-ethyl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S)-2-azido-1-di(propan-2-yloxy)phosphoryl-ethyl] 4-nitrobenzenesulfonate Openeye Name: [(1S)-2-azido-1-diisopropoxyphosphoryl-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S)-2-azido-1-di(propan-2-yloxy)phosphorylethyl] ester IUPAC Name: [(1S)-2-azido-1-di(propan-2-yloxy)phosphorylethyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S)-2-azido-1-diisopropoxyphosphoryl-ethyl] ester Formula: C14H21N4O8PS MolecularWeight: 436.377301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C(CN=[N+]=[N-])OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(C)C

Isomeric SMILES

CC(C)OP(=O)([C@@H](CN=[N+]=[N-])OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C14H21N4O8PS/c1-10(2)24-27(21,25-11(3)4)14(9-16-17-15)26-28(22,23)13-7-5-12(6-8-13)18(19)20/h5-8,10-11,14H,9H2,1-4H3/t14-/m0/s1