[(1S,2S)-1-bis(phenylmethoxy)phosphoryl-2-oxidanyl-heptyl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S,2S)-1-bis(phenylmethoxy)phosphoryl-2-oxidanyl-heptyl] 4-nitrobenzenesulfonate Openeye Name: [(1S,2S)-1-dibenzyloxyphosphoryl-2-hydroxy-heptyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,2S)-1-bis(phenylmethoxy)phosphoryl-2-hydroxyheptyl] ester IUPAC Name: [(1S,2S)-1-bis(phenylmethoxy)phosphoryl-2-hydroxyheptyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,2S)-1-dibenzoxyphosphoryl-2-hydroxy-heptyl] ester Formula: C27H32NO9PS MolecularWeight: 577.583041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[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)O

InChI

InChI=1S/C27H32NO9PS/c1-2-3-6-15-26(29)27(37-39(33,34)25-18-16-24(17-19-25)28(30)31)38(32,35-20-22-11-7-4-8-12-22)36-21-23-13-9-5-10-14-23/h4-5,7-14,16-19,26-27,29H,2-3,6,15,20-21H2,1H3/t26-,27-/m0/s1