12-azanyldodecaneperoxoic acid; sulfooxy hydrogen sulfate

Systemtic Name: 12-azanyldodecaneperoxoic acid; sulfooxy hydrogen sulfate Openeye Name: 12-aminododecaneperoxoic acid; sulfooxy hydrogen sulfate CAS Name: 12-aminododecaneperoxoic acid; sulfuric acid sulfooxy ester IUPAC Name: 12-aminododecaneperoxoic acid; sulfooxy hydrogen sulfate Traditional Name: 12-aminoperoxylauric acid; sulfuric acid sulfoxy ester Formula: C12H27NO11S2 MolecularWeight: 425.47288

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(=O)OO)CCCCCN.OS(=O)(=O)OOS(=O)(=O)O

Isomeric SMILES

C(CCCCCC(=O)OO)CCCCCN.OS(=O)(=O)OOS(=O)(=O)O

InChI

InChI=1S/C12H25NO3.H2O8S2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)16-15;1-9(2,3)7-8-10(4,5)6/h15H,1-11,13H2;(H,1,2,3)(H,4,5,6)