(phenylmethyl) (2S,3R)-4-(1,3-dioxan-2-yl)-2-(4-nitrophenyl)sulfonyloxy-3-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) (2S,3R)-4-(1,3-dioxan-2-yl)-2-(4-nitrophenyl)sulfonyloxy-3-oxidanyl-butanoate Openeye Name: benzyl (2S,3R)-4-(1,3-dioxan-2-yl)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxy-butanoate CAS Name: (2S,3R)-4-(1,3-dioxan-2-yl)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-4-(1,3-dioxan-2-yl)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxybutanoate Traditional Name: (2S,3R)-4-(1,3-dioxan-2-yl)-3-hydroxy-2-nosyloxy-butyric acid benzyl ester Formula: C21H23NO10S MolecularWeight: 481.47302

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CC(C(C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1COC(OC1)C[C@H]([C@@H](C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H23NO10S/c23-18(13-19-29-11-4-12-30-19)20(21(24)31-14-15-5-2-1-3-6-15)32-33(27,28)17-9-7-16(8-10-17)22(25)26/h1-3,5-10,18-20,23H,4,11-14H2/t18-,20+/m1/s1