[5-(octylamino)-5-oxidanylidene-pentan-2-yl] hydrogen sulfate

Systemtic Name: [5-(octylamino)-5-oxidanylidene-pentan-2-yl] hydrogen sulfate Openeye Name: [1-methyl-4-(octylamino)-4-oxo-butyl] hydrogen sulfate CAS Name: sulfuric acid [5-(octylamino)-5-oxopentan-2-yl] ester IUPAC Name: [5-(octylamino)-5-oxopentan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [4-keto-1-methyl-4-(octylamino)butyl] ester Formula: C13H27NO5S MolecularWeight: 309.42218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)CCC(C)OS(=O)(=O)O

InChI

InChI=1S/C13H27NO5S/c1-3-4-5-6-7-8-11-14-13(15)10-9-12(2)19-20(16,17)18/h12H,3-11H2,1-2H3,(H,14,15)(H,16,17,18)