ethyl 3-methyl-3-(4-nitrophenyl)sulfonyloxy-2,2-bis(oxidanyl)butanoate

Systemtic Name: ethyl 3-methyl-3-(4-nitrophenyl)sulfonyloxy-2,2-bis(oxidanyl)butanoate Openeye Name: ethyl 2,2-dihydroxy-3-methyl-3-(4-nitrophenyl)sulfonyloxy-butanoate CAS Name: 2,2-dihydroxy-3-methyl-3-(4-nitrophenyl)sulfonyloxybutanoic acid ethyl ester IUPAC Name: ethyl 2,2-dihydroxy-3-methyl-3-(4-nitrophenyl)sulfonyloxybutanoate Traditional Name: 2,2-dihydroxy-3-methyl-3-nosyloxy-butyric acid ethyl ester Formula: C13H17NO9S MolecularWeight: 363.34038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO9S/c1-4-22-11(15)13(16,17)12(2,3)23-24(20,21)10-7-5-9(6-8-10)14(18)19/h5-8,16-17H,4H2,1-3H3