(2R,3R)-3-(4-bromophenyl)-5-methoxy-1-methylsulfonyloxy-5-oxidanylidene-4-oxidanylideneazaniumylidene-pentan-2-olate

Systemtic Name: (2R,3R)-3-(4-bromophenyl)-5-methoxy-1-methylsulfonyloxy-5-oxidanylidene-4-oxidanylideneazaniumylidene-pentan-2-olate Openeye Name: (2R,3R)-3-(4-bromophenyl)-5-methoxy-1-methylsulfonyloxy-5-oxo-4-oxoiminio-pentan-2-olate CAS Name: (2R,3R)-3-(4-bromophenyl)-5-methoxy-1-methylsulfonyloxy-5-oxo-4-oxoiminio-2-pentanolate IUPAC Name: (2R,3R)-3-(4-bromophenyl)-5-methoxy-1-methylsulfonyloxy-5-oxo-4-oxoazaniumylidenepentan-2-olate Traditional Name: (2R,3R)-3-(4-bromophenyl)-5-keto-4-ketoiminio-5-methoxy-1-methylsulfonyloxy-pentan-2-olate Formula: C13H14BrNO7S MolecularWeight: 408.22176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=[N+]=O)C(C1=CC=C(C=C1)Br)C(COS(=O)(=O)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO7S/c1-21-13(17)12(15-18)11(8-3-5-9(14)6-4-8)10(16)7-22-23(2,19)20/h3-6,10-11H,7H2,1-2H3/t10-,11-/m0/s1