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Reference substances

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IUPAC name:
sodium 2-undecylbenzenesulfonate

Inventory

EC number:
248-583-2
EC name:
Sodium undecylbenzenesulphonate
CAS number:
27636-75-5
CAS number:
27636-75-5
Synonyms
Names:
Benzenesulfonic acid, undecyl-, sodium salt
sodium 4-(1-methyldecyl)benzenesulfonate
undecylbenzene sulphonic acid, sodium salt
Identifier:
IUPAC name
4-[undecan-(2 to 6)-yl] benzenesulfonic acid, sodium salt
Identifier:
IUPAC name
Sodium 2-undecylbenzenesulfonate
Identifier:
IUPAC name
sodium 2-undecylbenzene-1-sulfonate
Identifier:
IUPAC name
sodium undecylbenzenesulphonate
Identifier:
other: Molecular formula
C17H27O3SNa
Identifier:
other: Molecular formula
C17H27NaO3S
Identifier:
other: SMILES notation
Not applicable (generic description of constitutional isomers)
Identifier:
other: InChl
Not applicable (generic description of constitutional isomers)
Identifier:
other: SMILES notation
O=S(C1=CC=C(CCCCCCCCCCC)C=C1)([O-])=O.[Na+]
Identifier:
other: SMILES notation
[Na+].CCCCCCCCCCCc1ccccc1S([O-])(=O)=O
Identifier:
other: SMILES notation
[Na+].CCCCCCCCCCCc1ccccc1S([O-])(=O)=O

Molecular and structural information

Molecular formula:
C17H28O3S.Na
Molecular weight:
334.449
SMILES notation:
[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCC
InChl:
InChI=1/C17H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20;/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20);/q;+1/p-1
Structural formula:
Chemical structure

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Identifier:
CAS number
Identity:
2211-98-5
Identifier:
CAS number
Identity:
27636-75-5