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Reference substances

Reference substances

Currently viewing:
IUPAC name:
sodium dodecylbenzenesulfonate

Inventory

EC number:
246-680-4
EC name:
Sodium dodecylbenzenesulfonate
CAS number:
25155-30-0
CAS number:
25155-30-0
Synonyms
Names:
Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts
Benzenesulfonic acid, dodecyl-, sodium salt
Na-C12 LAS
dodecylbenzenesulfonic acid, sodium salt;
sodium linear C12 Alkylbenzene sulfonate
Identifier:
IUPAC name
Benzenesulfonic acid, dodecyl-, sodium salt
Identifier:
IUPAC name
Sodium dodecylbenzenesulfonate
Identifier:
IUPAC name
sodium 2-dodecylbenzenesulfonate
Identifier:
other: Molecular formula
C18H30O3S.Na
Identifier:
other: SMILES notation
CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Identifier:
other: InChl
InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1
Identifier:
other: InChl
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
Identifier:
other: SMILES notation
[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCCC

Molecular and structural information

Molecular formula:
C18H29NaO3S


Molecular weight:
348.48
SMILES notation:
O([Na])S(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC
InChl:
1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;/h12,14-16H,2-11,13H2,1H3,(H,19,20,21);/q;+1/p-1
Structural formula:
Chemical structure

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