[(1S,2S)-1-bis(phenylmethoxy)phosphoryl-1-(4-nitrophenyl)sulfonyloxy-propan-2-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S,2S)-1-bis(phenylmethoxy)phosphoryl-1-(4-nitrophenyl)sulfonyloxy-propan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [(1S,2S)-2-dibenzyloxyphosphoryl-1-methyl-2-(4-nitrophenyl)sulfonyloxy-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,2S)-1-bis(phenylmethoxy)phosphoryl-1-(4-nitrophenyl)sulfonyloxypropan-2-yl] ester IUPAC Name: [(1S,2S)-1-bis(phenylmethoxy)phosphoryl-1-(4-nitrophenyl)sulfonyloxypropan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,2S)-2-dibenzoxyphosphoryl-1-methyl-2-nosyloxy-ethyl] ester Formula: C29H27N2O13PS2 MolecularWeight: 706.634041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H27N2O13PS2/c1-22(43-46(37,38)27-16-12-25(13-17-27)30(32)33)29(44-47(39,40)28-18-14-26(15-19-28)31(34)35)45(36,41-20-23-8-4-2-5-9-23)42-21-24-10-6-3-7-11-24/h2-19,22,29H,20-21H2,1H3/t22-,29-/m0/s1