ethyl (2R,3S)-2-(4-methylphenyl)sulfonyloxy-4-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-butanoate

Systemtic Name: ethyl (2R,3S)-2-(4-methylphenyl)sulfonyloxy-4-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-butanoate Openeye Name: ethyl (2R,3S)-3-hydroxy-4-(6-nitro-1,3-benzodioxol-5-yl)-2-(p-tolylsulfonyloxy)butanoate CAS Name: (2R,3S)-3-hydroxy-2-(4-methylphenyl)sulfonyloxy-4-(6-nitro-1,3-benzodioxol-5-yl)butanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-hydroxy-2-(4-methylphenyl)sulfonyloxy-4-(6-nitro-1,3-benzodioxol-5-yl)butanoate Traditional Name: (2R,3S)-3-hydroxy-4-(6-nitro-1,3-benzodioxol-5-yl)-2-tosyloxy-butyric acid ethyl ester Formula: C20H21NO10S MolecularWeight: 467.44644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21NO10S/c1-3-28-20(23)19(31-32(26,27)14-6-4-12(2)5-7-14)16(22)8-13-9-17-18(30-11-29-17)10-15(13)21(24)25/h4-7,9-10,16,19,22H,3,8,11H2,1-2H3/t16-,19+/m0/s1