93941-81-2 Purity
96%
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Specification
The molecular formula is C6H15NO6S.
The synonyms are SCHEMBL1741815 Ammonium 3-(allyloxy)-2-hydroxypropyl sulfate.
The molecular weight is 229.25 g/mol.
The IUPAC name is azanium;(2-hydroxy-3-prop-2-enoxypropyl) sulfate.
The InChI is InChI=1S/C6H12O6S.H3N/c1-2-3-11-4-6(7)5-12-13(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);1H3.
The InChIKey is AHIGSTYXGQJIQN-UHFFFAOYSA-N.
The canonical SMILES is C=CCOCC(COS(=O)(=O)[O-])O.[NH4+].
The CAS number is 93941-86-7.
The hydrogen bond donor count is 2.
Yes, Ammonium 3-(allyloxy)-2-hydroxypropyl sulfate is a canonicalized compound.