Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts

Catalog Number	ACM25155300-2
CAS	25155-30-0
Structure
Synonyms	Sodium dodecylbenzenesulphonate
IUPAC Name	Sodium;4-dodecan-3-ylbenzenesulfonate
Molecular Weight	348.5
Molecular Formula	C18H29NaO3S
Canonical SMILES	CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C18H30O3S.Na/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1
InChI Key	HOXWFOVSCUWIEH-UHFFFAOYSA-M
Melting Point	>300 °C
Purity	98%+
Complexity	370
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	348.17351024
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	348.17351024
Physical State	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	65.6 Ų

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Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts (25155-30-0)

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