[(2S,3R,4R)-4-oxidanyl-3-phenylmethoxy-pentan-2-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(2S,3R,4R)-4-oxidanyl-3-phenylmethoxy-pentan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [(1S,2R,3R)-2-benzyloxy-3-hydroxy-1-methyl-butyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2S,3R,4R)-4-hydroxy-3-phenylmethoxypentan-2-yl] ester IUPAC Name: [(2S,3R,4R)-4-hydroxy-3-phenylmethoxypentan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,2R,3R)-2-benzoxy-3-hydroxy-1-methyl-butyl] ester Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO7S/c1-13(20)18(25-12-15-6-4-3-5-7-15)14(2)26-27(23,24)17-10-8-16(9-11-17)19(21)22/h3-11,13-14,18,20H,12H2,1-2H3/t13-,14+,18-/m1/s1