Registration Dossier

General information

Inventory

EC number:
279-282-4
EC name:
Sodium 3-(4-methyl-2-nitrophenoxy)propanesulphonate
CAS number:
79817-52-0

No inventory information available

Reference substance information

IUPAC name:
sodium 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonate
Synonyms
Names:
Identifier:
CAS number
79817-52-0
Identifier:
other: SMILES notation
O(CCCS(=O)(=O)[O-])c1c(cc(cc1)C)[N+]([O-])=O.[Na+]

CAS information

CAS number:
79817-52-0

Molecular and structural information

Molecular formula:
C10H13NO6S.Na
Molecular weight:
297.26
SMILES notation:
[Na+].Cc1ccc(OCCCS(=O)(=O)[O-])c(c1)[N+](=O)[O-]
InChl:
InChI=1/C10H13NO6S.Na/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16;/h3-4,7H,2,5-6H2,1H3,(H,14,15,16);/q;+1/p-1
Structural formula:
Chemical structure