Sodium 1-nonanesulfonate

Catalog	DGS35192746
CAS	35192-74-6
Structure
Synonyms	1-Nonanesulfonic acid sodium salt
IUPAC Name	sodium;nonane-1-sulfonate
Molecular Weight	230.30
Molecular Formula	C9H19NaO3S
Canonical SMILES	CCCCCCCCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C9H20O3S.Na/c1-2-3-4-5-6-7-8-9-13(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1
InChI Key	RUYRDULZOKULPK-UHFFFAOYSA-M
Melting Point	>300 °C (lit.)
Purity	98%
Appearance	Powder
Complexity	197
Exact Mass	230.09525992
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCS(=O)(=O)[O-].[Na+]
MDL Number	MFCD00025010
Monoisotopic Mass	230.09525992
Rotatable Bond Count	8
Topological Polar Surface Area	65.6 Ų