1-Hexadecanesulfonic acid, sodium salt

Catalog Number	ACM15015813-1
CAS	15015-81-3
Structure
Synonyms	Sodium cetylsulfonate
IUPAC Name	Sodium;hexadecane-1-sulfonate
Molecular Weight	328.5
Molecular Formula	C16H33NaO3S
Canonical SMILES	CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChI Key	PNGBYKXZVCIZRN-UHFFFAOYSA-M
Melting Point	265 °C
Purity	98%+
Complexity	286
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	328.20481037
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	328.20481037
Physical State	Solid
Rotatable Bond Count	15
Topological Polar Surface Area	65.6 Ų

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1-Hexadecanesulfonic acid, sodium salt (15015-81-3)

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