[(2R)-2-decoxy-3-[20-[(2R)-2-decoxy-3-(3-nitrophenyl)sulfonyloxy-propoxy]icosoxy]propyl] 3-nitrobenzenesulfonate

Systemtic Name: [(2R)-2-decoxy-3-[20-[(2R)-2-decoxy-3-(3-nitrophenyl)sulfonyloxy-propoxy]icosoxy]propyl] 3-nitrobenzenesulfonate Openeye Name: [(2R)-2-decoxy-3-[20-[(2R)-2-decoxy-3-(3-nitrophenyl)sulfonyloxy-propoxy]icosoxy]propyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(2R)-2-decoxy-3-[20-[(2R)-2-decoxy-3-(3-nitrophenyl)sulfonyloxypropoxy]eicosoxy]propyl] ester IUPAC Name: [(2R)-2-decoxy-3-[20-[(2R)-2-decoxy-3-(3-nitrophenyl)sulfonyloxypropoxy]icosoxy]propyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(2R)-2-decoxy-3-[20-[(2R)-2-decoxy-3-(3-nitrophenyl)sulfonyloxy-propoxy]eicosoxy]propyl] ester Formula: C58H100N2O14S2 MolecularWeight: 1113.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(COCCCCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OCCCCCCCCCC)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCO[C@H](COCCCCCCCCCCCCCCCCCCCCOC[C@H](COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OCCCCCCCCCC)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C58H100N2O14S2/c1-3-5-7-9-11-27-31-35-45-71-55(51-73-75(65,66)57-41-37-39-53(47-57)59(61)62)49-69-43-33-29-25-23-21-19-17-15-13-14-16-18-20-22-24-26-30-34-44-70-50-56(72-46-36-32-28-12-10-8-6-4-2)52-74-76(67,68)58-42-38-40-54(48-58)60(63)64/h37-42,47-48,55-56H,3-36,43-46,49-52H2,1-2H3/t55-,56-/m1/s1