2571-88-2 Purity
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The molecular formula is C23H51NO4S.
The synonyms are SCHEMBL11414077 and 68812-92-0.
The molecular weight is 437.7 g/mol.
The parent compound is CID 15365 (Dymanthine).
The component compounds are CID 15365 (Dymanthine) and CID 13829208 (1-Hydroxypropane-1-sulfonic acid).
It was created on February 13, 2015.
It was last modified on December 30, 2023.
The IUPAC name is dimethyl(octadecyl)azanium;1-hydroxypropane-1-sulfonate.
The InChI is InChI=1S/C20H43N.C3H8O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3(4)8(5,6)7/h4-20H2,1-3H3;3-4H,2H2,1H3,(H,5,6,7).
The Canonical SMILES is CCCCCCCCCCCCCCCCCC[NH+](C)C.CCC(O)S(=O)(=O)[O-].