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

Systemtic Name: ethyl 3-(4-nitrophenyl)sulfonyloxy-2,2-bis(oxidanyl)octanoate Openeye Name: ethyl 2,2-dihydroxy-3-(4-nitrophenyl)sulfonyloxy-octanoate CAS Name: 2,2-dihydroxy-3-(4-nitrophenyl)sulfonyloxyoctanoic acid ethyl ester IUPAC Name: ethyl 2,2-dihydroxy-3-(4-nitrophenyl)sulfonyloxyoctanoate Traditional Name: 2,2-dihydroxy-3-nosyloxy-caprylic acid ethyl ester Formula: C16H23NO9S MolecularWeight: 405.42012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO9S/c1-3-5-6-7-14(16(19,20)15(18)25-4-2)26-27(23,24)13-10-8-12(9-11-13)17(21)22/h8-11,14,19-20H,3-7H2,1-2H3