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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
Butanedioic acid, 3-sulfo-, 1-[2-[(1-oxo-decyl)amino]ethyl] ester, sodium salt

Molecular and structural information

Molecular formula:
C16H27NNa2O8S
Molecular weight:
ca. 439
SMILES notation:
O=C(OCCNC(CCCCCCCCC)=O)CC(S(=O)([O-])=O)C([O-])=O.[Na+].[Na+]
InChl:
InChI=1S/C16H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-14(18)17-10-11-25-15(19)12-13(16(20)21)26(22,23)24;;/h13H,2-12H2,1H3,(H,17,18)(H,20,21)(H,22,23,24);;/q;2*+1/p-2
Structural formula:
Chemical structure