94213-60-2 Purity
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Specification
The molecular formula is C22H48N2O7S.
The synonyms are Diammonium 1-octadecyl 2-sulphonatosuccinate, EINECS 303-768-8, and 94213-63-5.
The molecular weight is 484.7 g/mol.
The component compounds are 4-Octadecoxy-4-oxo-3-sulfobutanoic acid and Ammonia.
The IUPAC name is diazanium;4-octadecoxy-4-oxo-3-sulfonatobutanoate.
The InChIKey is YUMOQEPYKZQZCQ-UHFFFAOYSA-N.
The Canonical SMILES is CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].
The CAS number is 94213-63-5.
It has 2 hydrogen bond donor counts.
Yes, the compound is canonicalized.