methyl sulfate; (5-oxidanyl-5-oxidanylidene-pentyl)-(1-oxidanyltricosan-6-yl)azanium

Systemtic Name: methyl sulfate; (5-oxidanyl-5-oxidanylidene-pentyl)-(1-oxidanyltricosan-6-yl)azanium Openeye Name: (5-hydroxy-5-oxo-pentyl)-[1-(5-hydroxypentyl)octadecyl]ammonium; methyl sulfate CAS Name: (5-hydroxy-5-oxopentyl)-(1-hydroxytricosan-6-yl)ammonium; methyl sulfate IUPAC Name: (5-hydroxy-5-oxopentyl)-(1-hydroxytricosan-6-yl)azanium; methyl sulfate Traditional Name: (5-hydroxy-5-keto-pentyl)-[1-(5-hydroxypentyl)octadecyl]ammonium; methyl sulfate Formula: C29H61NO7S MolecularWeight: 567.86214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCO)[NH2+]CCCCC(=O)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCO)[NH2+]CCCCC(=O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C28H57NO3.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-27(23-18-16-21-26-30)29-25-20-19-24-28(31)32;1-5-6(2,3)4/h27,29-30H,2-26H2,1H3,(H,31,32);1H3,(H,2,3,4)