(1-hexadecylpiperidin-4-yl) oxidanyl carbonate; sulfooxy hydrogen sulfate

Systemtic Name: (1-hexadecylpiperidin-4-yl) oxidanyl carbonate; sulfooxy hydrogen sulfate Openeye Name: (1-hexadecyl-4-piperidyl) hydroxy carbonate; sulfooxy hydrogen sulfate CAS Name: carbonic acid (1-hexadecyl-4-piperidinyl) hydroxy ester; sulfuric acid sulfooxy ester IUPAC Name: (1-hexadecylpiperidin-4-yl) hydroxy carbonate; sulfooxy hydrogen sulfate Traditional Name: carbonic acid (1-cetyl-4-piperidyl) hydroxy ester; sulfuric acid sulfoxy ester Formula: C22H45NO12S2 MolecularWeight: 579.7222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCC(CC1)OC(=O)OO.OS(=O)(=O)OOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCC(CC1)OC(=O)OO.OS(=O)(=O)OOS(=O)(=O)O

InChI

InChI=1S/C22H43NO4.H2O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-21(17-20-23)26-22(24)27-25;1-9(2,3)7-8-10(4,5)6/h21,25H,2-20H2,1H3;(H,1,2,3)(H,4,5,6)