[(2R)-3-icosoxy-2-oxidanyl-propyl] 3-nitrobenzenesulfonate

Systemtic Name: [(2R)-3-icosoxy-2-oxidanyl-propyl] 3-nitrobenzenesulfonate Openeye Name: [(2R)-2-hydroxy-3-icosoxy-propyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(2R)-3-eicosoxy-2-hydroxypropyl] ester IUPAC Name: [(2R)-2-hydroxy-3-icosoxypropyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(2R)-3-arachyloxy-2-hydroxy-propyl] ester Formula: C29H51NO7S MolecularWeight: 557.78274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC[C@H](COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C29H51NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-25-28(31)26-37-38(34,35)29-22-20-21-27(24-29)30(32)33/h20-22,24,28,31H,2-19,23,25-26H2,1H3/t28-/m1/s1